CID 748256

14840-18-7

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)

InChIKey

XKGRXBQGCQJOHQ-UHFFFAOYSA-N

Compound name

3-(benzimidazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 189
Patents: 190.07423 Da
Monoisotopic Mass: 0.9
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]+	191.08151	139.0
[M+Na]+	213.06345	151.7
[M+NH4]+	208.10805	146.5
[M+K]+	229.03739	147.8
[M-H]-	189.06695	139.1
[M+Na-2H]-	211.04890	144.8
[M]+	190.07368	140.7
[M]-	190.07478	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe