CID 937052

30163-82-7

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC1=NC2=CC=CC=C2N1CCC(=O)O

InChI

InChI=1S/C11H12N2O2/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)

InChIKey

ZBXHHZFMTRYXCG-UHFFFAOYSA-N

Compound name

3-(2-methylbenzimidazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 204.08987 Da
Monoisotopic Mass: 1.3
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]+	205.09715	143.4
[M+Na]+	227.07909	156.3
[M+NH4]+	222.12369	150.8
[M+K]+	243.05303	152.3
[M-H]-	203.08259	143.6
[M+Na-2H]-	225.06454	148.8
[M]+	204.08932	145.1
[M]-	204.09042	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe