CID 610002

Methyl (7-hydroxy-1h-benzimidazol-2-yl)carbamate

Structural Information

Molecular Formula
C9H9N3O3
SMILES
COC(=O)NC1=NC2=C(N1)C=CC=C2O
InChI
InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-5-3-2-4-6(13)7(5)11-8/h2-4,13H,1H3,(H2,10,11,12,14)
InChIKey
GQINHLNACVSEKE-UHFFFAOYSA-N
Compound name
methyl N-(4-hydroxy-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.06439 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 140.8
[M+Na]+ 230.05361 150.6
[M-H]- 206.05711 141.3
[M+NH4]+ 225.09821 158.7
[M+K]+ 246.02755 147.4
[M+H-H2O]+ 190.06165 134.1
[M+HCOO]- 252.06259 162.8
[M+CH3COO]- 266.07824 181.0
[M+Na-2H]- 228.03906 147.7
[M]+ 207.06384 142.0
[M]- 207.06494 142.0
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