CID 10857926

105151-39-1

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCC1=CC(=C(N=C1)C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C13H17NO4/c1-4-9-7-10(12(15)17-5-2)11(14-8-9)13(16)18-6-3/h7-8H,4-6H2,1-3H3
InChIKey
VSPXTWXXNZJEHM-UHFFFAOYSA-N
Compound name
diethyl 5-ethylpyridine-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

251.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 155.7
[M+Na]+ 274.10497 163.3
[M-H]- 250.10847 158.1
[M+NH4]+ 269.14957 171.9
[M+K]+ 290.07891 162.3
[M+H-H2O]+ 234.11301 148.6
[M+HCOO]- 296.11395 177.1
[M+CH3COO]- 310.12960 195.1
[M+Na-2H]- 272.09042 158.2
[M]+ 251.11520 161.4
[M]- 251.11630 161.4
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