CID 11985

2-hydroxy benzimidazole

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC=C2C(=C1)NC(=O)N2
InChI
InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKey
SILNNFMWIMZVEQ-UHFFFAOYSA-N
Compound name
1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

49
References

21453
Patents

134.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 122.0
[M+Na]+ 157.037238 133.2
[M-H]- 133.040744 122.1
[M+NH4]+ 152.081843 143.0
[M+K]+ 173.011178 128.7
[M+H-H2O]+ 117.045280 116.0
[M+HCOO]- 179.046221 144.2
[M+CH3COO]- 193.061871 136.2
[M+Na-2H]- 155.022686 131.2
[M]+ 134.04747142 120.7
[M]- 134.04856858 120.7
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