CID 755565

50365-32-7

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)NC(=N2)CCCC(=O)O

InChI

InChI=1S/C11H12N2O2/c14-11(15)7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)

InChIKey

ZDHBKJAJFVSOSF-UHFFFAOYSA-N

Compound name

4-(1H-benzimidazol-2-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 52
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	144.0
[M+Na]+	227.07909	156.0
[M+NH4]+	222.12369	151.0
[M+K]+	243.05303	152.1
[M-H]-	203.08259	143.6
[M+Na-2H]-	225.06454	148.9
[M]+	204.08932	145.3
[M]-	204.09042	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe