CID 84126

13972-49-1

Structural Information

Molecular Formula

C₁₄H₂₃NO₄

SMILES

CCN(CCOC(=O)C(=C)C)CCOC(=O)C(=C)C

InChI

InChI=1S/C14H23NO4/c1-6-15(7-9-18-13(16)11(2)3)8-10-19-14(17)12(4)5/h2,4,6-10H2,1,3,5H3

InChIKey

BHICZSRCJVGOGG-UHFFFAOYSA-N

Compound name

2-[ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 680
Patents: 269.16272 Da
Monoisotopic Mass: 2.3
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]+	270.169996	165.9
[M+Na]+	292.151938	169.5
[M-H]-	268.155444	166.6
[M+NH4]+	287.196543	182.4
[M+K]+	308.125878	170.0
[M+H-H2O]+	252.159980	159.6
[M+HCOO]-	314.160921	186.5
[M+CH3COO]-	328.176571	206.1
[M+Na-2H]-	290.137386	163.5
[M]+	269.16217142	171.0
[M]-	269.16326858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe