CID 2911125

58555-21-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC(CN1C=NC2=CC=CC=C21)C(=O)O

InChI

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

InChIKey

NIIJKDXDTQPYOQ-UHFFFAOYSA-N

Compound name

3-(benzimidazol-1-yl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 19
Patents: 204.08987 Da
Monoisotopic Mass: 1.4
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	143.3
[M+Na]+	227.07909	155.5
[M+NH4]+	222.12369	150.6
[M+K]+	243.05303	152.1
[M-H]-	203.08259	143.2
[M+Na-2H]-	225.06454	148.6
[M]+	204.08932	144.8
[M]-	204.09042	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe