CID 109328

2-methyl-5-chloro-3-(beta-hydroxypropyl)benzimidazole

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

CC1=NC2=C(N1CC(C)O)C=C(C=C2)Cl

InChI

InChI=1S/C11H13ClN2O/c1-7(15)6-14-8(2)13-10-4-3-9(12)5-11(10)14/h3-5,7,15H,6H2,1-2H3

InChIKey

BRCANRFFTFNXPU-UHFFFAOYSA-N

Compound name

1-(6-chloro-2-methylbenzimidazol-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.07164 Da
Monoisotopic Mass: 2.1
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]+	225.078916	147.1
[M+Na]+	247.060858	158.9
[M-H]-	223.064364	148.5
[M+NH4]+	242.105463	166.6
[M+K]+	263.034798	153.7
[M+H-H2O]+	207.068900	141.1
[M+HCOO]-	269.069841	163.5
[M+CH3COO]-	283.085491	187.3
[M+Na-2H]-	245.046306	151.5
[M]+	224.07109142	151.8
[M]-	224.07218858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.