CID 15198543

68631-52-7

Structural Information

Molecular Formula
C11H13NO5
SMILES
CCOC(=O)C1=CC(=O)C=C(N1)C(=O)OCC
InChI
InChI=1S/C11H13NO5/c1-3-16-10(14)8-5-7(13)6-9(12-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKey
ZQNBKZRLUKPGCF-UHFFFAOYSA-N
Compound name
diethyl 4-oxo-1H-pyridine-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

239.07938 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 148.8
[M+Na]+ 262.06860 157.0
[M-H]- 238.07210 150.2
[M+NH4]+ 257.11320 164.6
[M+K]+ 278.04254 155.5
[M+H-H2O]+ 222.07664 142.1
[M+HCOO]- 284.07758 169.7
[M+CH3COO]- 298.09323 188.0
[M+Na-2H]- 260.05405 151.9
[M]+ 239.07883 152.6
[M]- 239.07993 152.6
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