CID 3076744

Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:2)

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

CCC1=C(C=CC(=N1)C)OCC(=O)OCCN(C)C

InChI

InChI=1S/C14H22N2O3/c1-5-12-13(7-6-11(2)15-12)19-10-14(17)18-9-8-16(3)4/h6-7H,5,8-10H2,1-4H3

InChIKey

SJWQNURDTNLUKL-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.16306 Da
Monoisotopic Mass: 2.0
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]+	267.170336	163.1
[M+Na]+	289.152278	169.4
[M-H]-	265.155784	166.5
[M+NH4]+	284.196883	179.0
[M+K]+	305.126218	169.0
[M+H-H2O]+	249.160320	155.0
[M+HCOO]-	311.161261	186.1
[M+CH3COO]-	325.176911	205.1
[M+Na-2H]-	287.137726	165.7
[M]+	266.16251142	169.5
[M]-	266.16360858	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.