CID 95561996

99055-33-1

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1=CC=C2C(=C1)NC(=O)N2CO
InChI
InChI=1S/C8H8N2O2/c11-5-10-7-4-2-1-3-6(7)9-8(10)12/h1-4,11H,5H2,(H,9,12)
InChIKey
LTYSLJOZKJMYBE-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 129.7
[M+Na]+ 187.047798 141.2
[M-H]- 163.051304 130.1
[M+NH4]+ 182.092403 149.7
[M+K]+ 203.021738 137.1
[M+H-H2O]+ 147.055840 123.6
[M+HCOO]- 209.056781 151.7
[M+CH3COO]- 223.072431 143.7
[M+Na-2H]- 185.033246 137.7
[M]+ 164.05803142 130.5
[M]- 164.05912858 130.5
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.