CID 13616640

39513-24-1

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1=CC2=C(C=C1O)NC(=O)N2
InChI
InChI=1S/C7H6N2O2/c10-4-1-2-5-6(3-4)9-7(11)8-5/h1-3,10H,(H2,8,9,11)
InChIKey
LVWUZNNDSSEHBV-UHFFFAOYSA-N
Compound name
5-hydroxy-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

150.04292 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 125.7
[M+Na]+ 173.032138 137.3
[M-H]- 149.035644 124.9
[M+NH4]+ 168.076743 145.6
[M+K]+ 189.006078 132.5
[M+H-H2O]+ 133.040180 120.1
[M+HCOO]- 195.041121 146.6
[M+CH3COO]- 209.056771 139.5
[M+Na-2H]- 171.017586 133.8
[M]+ 150.04237142 124.4
[M]- 150.04346858 124.4
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

patents stripe