isobutanoate

Chemical Formula:

C₄H₇O₂

Molecular Weight:

87.098 Daltons

Monoisotopic Mass:

88.05242950099999 Daltons

SMILES:

CC(C)C([O-])=O

InChI:

1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1

InChIKey:

KQNPFQTWMSNSAP-UHFFFAOYSA-M

Synonyms

2-methylpropionic acid
2-methylpropanoic acid
isobutyric acid
isobutyrate
dimethylacetic acid
2-methylpropanoate

Databases

MetaCyc: ISOBUTYRATE

RefMet: Isobutyric acid

MetaboLights: MTBLC48944

HMDB: HMDB01873

ChemSpider: 144940

PubChem (CID): 165337 6590

ChEBI: 48944

CAS: 79-31-2

UMBBD-Compounds: c0383

KEGG: c02632

NCI: 62780

MediaDB: compounds/2216/

Seed: cpd01711

MetaNetX: MNXM2531