CID 118816

Einecs 252-550-8

Structural Information

Molecular Formula

C₁₂H₁₈O₄S

SMILES

CC(=C)C(=O)OCCSCCOC(=O)C(=C)C

InChI

InChI=1S/C12H18O4S/c1-9(2)11(13)15-5-7-17-8-6-16-12(14)10(3)4/h1,3,5-8H2,2,4H3

InChIKey

AXXUFOMEPPBIHV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 909
Patents: 258.0926 Da
Monoisotopic Mass: 2.6
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]+	259.099876	160.2
[M+Na]+	281.081818	164.8
[M-H]-	257.085324	159.8
[M+NH4]+	276.126423	177.2
[M+K]+	297.055758	163.3
[M+H-H2O]+	241.089860	154.4
[M+HCOO]-	303.090801	174.2
[M+CH3COO]-	317.106451	195.3
[M+Na-2H]-	279.067266	156.6
[M]+	258.09205142	166.1
[M]-	258.09314858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe