skatole

Chemical Formula:

C₉H₉N

Molecular Weight:

131.177 Daltons

Monoisotopic Mass:

131.0734992941 Daltons

SMILES:

CC1(C2(C=CC=CC(NC=1)=2))

InChI:

1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3

InChIKey:

ZFRKQXVRDFCRJG-UHFFFAOYSA-N

Synonyms

3-methyl-1H-indole

Databases

MetaCyc: SKATOLE

RefMet: 3-Methylindole

MetaboLights: MTBLC9171

HMDB: HMDB00466

ChemSpider: 6480

ChEBI: 9171

PubChem (CID): 6736

KEGG: C08313

Reactome: 213162

Seed: cpd05228

MetaNetX: MNXM5299