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

5
Annotation Hits: 0
References: 379
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	138.4
[M+Na]+	197.06068	144.8
[M-H]-	173.06418	138.7
[M+NH4]+	192.10528	159.2
[M+K]+	213.03462	143.7
[M+H-H2O]+	157.06872	133.4
[M+HCOO]-	219.06966	154.9
[M+CH3COO]-	233.08531	180.2
[M+Na-2H]-	195.04613	138.6
[M]+	174.07091	142.7
[M]-	174.07201	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe