CID 21548038

2-oxo-6-(pyridin-2-yl)-1,2-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC=NC(=C1)C2=CC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C11H8N2O3/c14-10-7(11(15)16)4-5-9(13-10)8-3-1-2-6-12-8/h1-6H,(H,13,14)(H,15,16)
InChIKey
YFLVHZXQLBWLKU-UHFFFAOYSA-N
Compound name
2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

216.0535 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe