(Q106345539)

1 February 2021

mass

103.063328528 dalton

1 reference

1 reference

1 reference

1 reference

chemical formula

C₄H₉NO₂

1 reference

inferred from SMILES

canonical SMILES

CNC(C)C(=O)O

1 reference

inferred from isomeric SMILES

isomeric SMILES

CN[C@@H](C)C(=O)O

1 reference

InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1

inferred from InChI

Identifiers

InChI

1 reference

1 reference

CAS Registry Number

3913-67-5

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

PubChem CID

5288725

1 reference

6971259

1 reference

ChEBI ID

58175

mapping relation type

exact match

2 references

International Chemical Identifier

InChI

InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1

17519

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1

MassBank accession ID

MSBNK-Keio_Univ-KO001366

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO001368

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003358

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003360

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003361

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003357

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO001367

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003359

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

Human Metabolome Database ID

HMDB0094692

2 references

inferred from InChIKey

UNII

H5152L2RBJ

1 reference