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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 147.1
[M+Na]+ 247.06086 158.9
[M-H]- 223.06436 148.5
[M+NH4]+ 242.10546 166.6
[M+K]+ 263.03480 153.7
[M+H-H2O]+ 207.06890 141.1
[M+HCOO]- 269.06984 163.5
[M+CH3COO]- 283.08549 187.3
[M+Na-2H]- 245.04631 151.5
[M]+ 224.07109 151.8
[M]- 224.07219 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.