CID 254166

1912-48-7

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CN1C=C(C2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)

InChIKey

NAIPEFIYIQFVFC-UHFFFAOYSA-N

Compound name

2-(1-methylindol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 529
Patents: 189.07898 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.08626	138.9
[M+Na]+	212.06820	152.0
[M+NH4]+	207.11280	147.1
[M+K]+	228.04214	147.8
[M-H]-	188.07170	139.9
[M+Na-2H]-	210.05365	144.7
[M]+	189.07843	140.9
[M]-	189.07953	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe