CID 576479

1-hydroxybenzimidazole

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC=C2C(=C1)N=CN2O
InChI
InChI=1S/C7H6N2O/c10-9-5-8-6-3-1-2-4-7(6)9/h1-5,10H
InChIKey
IRSPCJLMPFDMGD-UHFFFAOYSA-N
Compound name
1-hydroxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4418
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 121.8
[M+Na]+ 157.03724 133.2
[M-H]- 133.04074 123.4
[M+NH4]+ 152.08184 143.6
[M+K]+ 173.01118 130.3
[M+H-H2O]+ 117.04528 115.6
[M+HCOO]- 179.04622 145.4
[M+CH3COO]- 193.06187 136.8
[M+Na-2H]- 155.02269 131.6
[M]+ 134.04747 123.1
[M]- 134.04857 123.1
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