CID 459505

5-ethoxycarbonyl-2,6-dimethyl-4-oxo-1h-pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H13NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1=O)C(=O)O)C)C
InChI
InChI=1S/C11H13NO5/c1-4-17-11(16)8-6(3)12-5(2)7(9(8)13)10(14)15/h4H2,1-3H3,(H,12,13)(H,14,15)
InChIKey
NAAKJECPNRDSPY-UHFFFAOYSA-N
Compound name
5-ethoxycarbonyl-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 147.9
[M+Na]+ 262.06860 157.3
[M-H]- 238.07210 148.5
[M+NH4]+ 257.11320 163.4
[M+K]+ 278.04254 155.1
[M+H-H2O]+ 222.07664 141.9
[M+HCOO]- 284.07758 167.1
[M+CH3COO]- 298.09323 188.9
[M+Na-2H]- 260.05405 149.1
[M]+ 239.07883 150.7
[M]- 239.07993 150.7
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

No patent data available for this compound.