CID 3082533

5-hydroxybenzimidazole

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC2=C(C=C1O)NC=N2
InChI
InChI=1S/C7H6N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4,10H,(H,8,9)
InChIKey
KRKSOBREFNTJJY-UHFFFAOYSA-N
Compound name
3H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

622
Patents

134.04802 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 123.0
[M+Na]+ 157.03724 136.7
[M+NH4]+ 152.08184 131.7
[M+K]+ 173.01118 132.4
[M-H]- 133.04074 123.7
[M+Na-2H]- 155.02269 130.0
[M]+ 134.04747 125.0
[M]- 134.04857 125.0
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