CID 780757

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

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC2=C(C=C1C(=O)O)NC(=O)N2
InChI
InChI=1S/C8H6N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
InChIKey
YIGYJEWJHOCKSR-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

178.03784 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 132.6
[M+Na]+ 201.02706 143.4
[M-H]- 177.03056 131.7
[M+NH4]+ 196.07166 151.0
[M+K]+ 217.00100 138.9
[M+H-H2O]+ 161.03510 126.7
[M+HCOO]- 223.03604 152.4
[M+CH3COO]- 237.05169 171.1
[M+Na-2H]- 199.01251 138.9
[M]+ 178.03729 131.7
[M]- 178.03839 131.7
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