CID 21885925

1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=CC(=CN(C1=O)C)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-5-3-6(8(11)12)4-9(2)7(5)10/h3-4H,1-2H3,(H,11,12)
InChIKey
MXHCSFDXIHKKOY-UHFFFAOYSA-N
Compound name
1,5-dimethyl-6-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

167.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 129.7
[M+Na]+ 190.047458 140.2
[M-H]- 166.050964 131.8
[M+NH4]+ 185.092063 148.9
[M+K]+ 206.021398 138.4
[M+H-H2O]+ 150.055500 124.2
[M+HCOO]- 212.056441 151.9
[M+CH3COO]- 226.072091 177.1
[M+Na-2H]- 188.032906 134.8
[M]+ 167.05769142 131.4
[M]- 167.05878858 131.4
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