CID 13043986

2-methoxycarbonylamino-1h-benzoimidazole-6-carboxylic acid

Structural Information

Molecular Formula
C10H9N3O4
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H9N3O4/c1-17-10(16)13-9-11-6-3-2-5(8(14)15)4-7(6)12-9/h2-4H,1H3,(H,14,15)(H2,11,12,13,16)
InChIKey
GIGRDSFULBVHHT-UHFFFAOYSA-N
Compound name
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

235.05931 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 147.3
[M+Na]+ 258.04853 156.4
[M-H]- 234.05203 147.7
[M+NH4]+ 253.09313 163.7
[M+K]+ 274.02247 153.6
[M+H-H2O]+ 218.05657 140.4
[M+HCOO]- 280.05751 168.3
[M+CH3COO]- 294.07316 186.4
[M+Na-2H]- 256.03398 152.6
[M]+ 235.05876 148.9
[M]- 235.05986 148.9
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.