CID 3076746

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

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₃

SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-5-14-15(9-8-13(4)17-14)21-12-16(19)20-11-10-18(6-2)7-3/h8-9H,5-7,10-12H2,1-4H3

InChIKey

BVHOJYPZFSIBLD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.19434 Da
Monoisotopic Mass: 2.7
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]+	295.201616	172.4
[M+Na]+	317.183558	177.8
[M-H]-	293.187064	175.4
[M+NH4]+	312.228163	187.1
[M+K]+	333.157498	177.0
[M+H-H2O]+	277.191600	163.9
[M+HCOO]-	339.192541	194.7
[M+CH3COO]-	353.208191	211.0
[M+Na-2H]-	315.169006	173.9
[M]+	294.19379142	179.5
[M]-	294.19488858	179.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.