CID 26577

Ethylthioethyl methacrylate

Structural Information

Molecular Formula

C₈H₁₄O₂S

SMILES

CCSCCOC(=O)C(=C)C

InChI

InChI=1S/C8H14O2S/c1-4-11-6-5-10-8(9)7(2)3/h2,4-6H2,1,3H3

InChIKey

VMKYTTSJFPJNOS-UHFFFAOYSA-N

Compound name

2-ethylsulfanylethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 344
Patents: 174.07146 Da
Monoisotopic Mass: 2.2
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]+	175.07874	140.3
[M+Na]+	197.06068	149.2
[M+NH4]+	192.10528	147.7
[M+K]+	213.03462	142.3
[M-H]-	173.06418	139.1
[M+Na-2H]-	195.04613	142.0
[M]+	174.07091	141.4
[M]-	174.07201	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe