CID 115152

22769-68-2

Structural Information

Molecular Formula
C9H9N3O3
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)O
InChI
InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)
InChIKey
UINGPWWYGSJYAY-UHFFFAOYSA-N
Compound name
methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

31
Patents

207.06439 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 142.0
[M+Na]+ 230.05361 152.9
[M+NH4]+ 225.09821 148.2
[M+K]+ 246.02755 150.7
[M-H]- 206.05711 141.4
[M+Na-2H]- 228.03906 146.4
[M]+ 207.06384 142.9
[M]- 207.06494 142.9
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