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

46
Patents

150.04292 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 125.7
[M+Na]+ 173.03214 137.3
[M-H]- 149.03564 124.9
[M+NH4]+ 168.07674 145.6
[M+K]+ 189.00608 132.5
[M+H-H2O]+ 133.04018 120.1
[M+HCOO]- 195.04112 146.6
[M+CH3COO]- 209.05677 139.5
[M+Na-2H]- 171.01759 133.8
[M]+ 150.04237 124.4
[M]- 150.04347 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