CID 12873362

62749-61-5

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CN=CC=C1C2=CNC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C11H8N2O3/c14-10-9(11(15)16)5-8(6-13-10)7-1-3-12-4-2-7/h1-6H,(H,13,14)(H,15,16)
InChIKey
WKDNSRJXCYJQBV-UHFFFAOYSA-N
Compound name
2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

216.0535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 144.0
[M+Na]+ 239.042718 153.0
[M-H]- 215.046224 146.1
[M+NH4]+ 234.087323 158.2
[M+K]+ 255.016658 148.6
[M+H-H2O]+ 199.050760 136.0
[M+HCOO]- 261.051701 163.7
[M+CH3COO]- 275.067351 181.2
[M+Na-2H]- 237.028166 150.2
[M]+ 216.05295142 142.4
[M]- 216.05404858 142.4
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