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]+ 177.10224 136.3
[M+Na]+ 199.08418 145.9
[M-H]- 175.08768 135.9
[M+NH4]+ 194.12878 155.7
[M+K]+ 215.05812 141.4
[M+H-H2O]+ 159.09222 129.7
[M+HCOO]- 221.09316 157.3
[M+CH3COO]- 235.10881 149.2
[M+Na-2H]- 197.06963 144.0
[M]+ 176.09441 136.8
[M]- 176.09551 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.