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: 136
Patents: 251.11575 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.12303	156.9
[M+Na]+	274.10497	168.1
[M+NH4]+	269.14957	162.5
[M+K]+	290.07891	163.3
[M-H]-	250.10847	156.4
[M+Na-2H]-	272.09042	160.9
[M]+	251.11520	158.0
[M]-	251.11630	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe