CID 2767304

56162-63-1

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C12H9NO3/c14-11-9(12(15)16)6-7-10(13-11)8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16)
InChIKey
MHFTTYLYTCCJGW-UHFFFAOYSA-N
Compound name
2-oxo-6-phenyl-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

50
Patents

215.05824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.065516 143.7
[M+Na]+ 238.047458 152.3
[M-H]- 214.050964 147.0
[M+NH4]+ 233.092063 159.3
[M+K]+ 254.021398 147.9
[M+H-H2O]+ 198.055500 136.4
[M+HCOO]- 260.056441 164.4
[M+CH3COO]- 274.072091 181.4
[M+Na-2H]- 236.032906 149.3
[M]+ 215.05769142 141.9
[M]- 215.05878858 141.9
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