CID 68685837

939999-26-5

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC(=CC(=C1)N2C=CNC2=O)C(=O)O
InChI
InChI=1S/C10H8N2O3/c13-9(14)7-2-1-3-8(6-7)12-5-4-11-10(12)15/h1-6H,(H,11,15)(H,13,14)
InChIKey
PXDLZVLUNNAWAJ-UHFFFAOYSA-N
Compound name
3-(2-oxo-1H-imidazol-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

204.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.5
[M+Na]+ 227.04272 149.8
[M-H]- 203.04622 142.9
[M+NH4]+ 222.08732 157.1
[M+K]+ 243.01666 145.9
[M+H-H2O]+ 187.05076 133.2
[M+HCOO]- 249.05170 161.4
[M+CH3COO]- 263.06735 178.0
[M+Na-2H]- 225.02817 144.6
[M]+ 204.05295 139.3
[M]- 204.05405 139.3
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