CID 14424857

1-methyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CN1C2=C(C=C(C=C2)C(=O)O)NC1=O
InChI
InChI=1S/C9H8N2O3/c1-11-7-3-2-5(8(12)13)4-6(7)10-9(11)14/h2-4H,1H3,(H,10,14)(H,12,13)
InChIKey
NXLLJAFDWSUDJZ-UHFFFAOYSA-N
Compound name
1-methyl-2-oxo-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

192.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 136.4
[M+Na]+ 215.042718 148.2
[M-H]- 191.046224 137.1
[M+NH4]+ 210.087323 155.3
[M+K]+ 231.016658 144.3
[M+H-H2O]+ 175.050760 130.4
[M+HCOO]- 237.051701 157.4
[M+CH3COO]- 251.067351 177.7
[M+Na-2H]- 213.028166 141.9
[M]+ 192.05295142 138.1
[M]- 192.05404858 138.1
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