CID 75470

2-(3-hydroxypropyl)benzimidazole

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)CCCO
InChI
InChI=1S/C10H12N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
InChIKey
CQFSGSFSOWEIGO-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

132
Patents

176.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 136.3
[M+Na]+ 199.084178 145.9
[M-H]- 175.087684 135.9
[M+NH4]+ 194.128783 155.7
[M+K]+ 215.058118 141.4
[M+H-H2O]+ 159.092220 129.7
[M+HCOO]- 221.093161 157.3
[M+CH3COO]- 235.108811 149.2
[M+Na-2H]- 197.069626 144.0
[M]+ 176.09441142 136.8
[M]- 176.09550858 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe