CID 81139

3-(1h-indol-1-yl)propanoic acid

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

C1=CC=C2C(=C1)C=CN2CCC(=O)O

InChI

InChI=1S/C11H11NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8H2,(H,13,14)

InChIKey

OSWNOVFZARRSKM-UHFFFAOYSA-N

Compound name

3-indol-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 145
Patents: 189.07898 Da
Monoisotopic Mass: 2.2
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	139.1
[M+Na]+	212.06820	151.9
[M+NH4]+	207.11280	147.4
[M+K]+	228.04214	147.4
[M-H]-	188.07170	140.1
[M+Na-2H]-	210.05365	145.2
[M]+	189.07843	141.1
[M]-	189.07953	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe