CID 228473

5435-36-9

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CC1=C2C(=CC=C1)C(=CN2)CC(=O)O

InChI

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

InChIKey

LNBQFYNLWIFQGI-UHFFFAOYSA-N

Compound name

2-(7-methyl-1H-indol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 189.07898 Da
Monoisotopic Mass: 1.8
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	139.4
[M+Na]+	212.06820	152.0
[M+NH4]+	207.11280	147.3
[M+K]+	228.04214	148.0
[M-H]-	188.07170	139.9
[M+Na-2H]-	210.05365	144.6
[M]+	189.07843	141.2
[M]-	189.07953	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe