CID 170509

41438-38-4

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCOC(=O)C1=CC(=NC=C1)C(=O)OCC
InChI
InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
InChIKey
MUUDQLHCIAOWPR-UHFFFAOYSA-N
Compound name
diethyl pyridine-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

206
Patents

223.08446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.2
[M+Na]+ 246.073678 154.7
[M-H]- 222.077184 149.6
[M+NH4]+ 241.118283 164.2
[M+K]+ 262.047618 154.2
[M+H-H2O]+ 206.081720 140.1
[M+HCOO]- 268.082661 169.2
[M+CH3COO]- 282.098311 187.9
[M+Na-2H]- 244.059126 151.4
[M]+ 223.08391142 151.8
[M]- 223.08500858 151.8
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