CID 20973

2-(methylthio)ethyl acrylate

Structural Information

Molecular Formula

C₆H₁₀O₂S

SMILES

CSCCOC(=O)C=C

InChI

InChI=1S/C6H10O2S/c1-3-6(7)8-4-5-9-2/h3H,1,4-5H2,2H3

InChIKey

KAGWLGUCGNNPFW-UHFFFAOYSA-N

Compound name

2-methylsulfanylethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 333
Patents: 146.04015 Da
Monoisotopic Mass: 1.1
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]+	147.047426	129.1
[M+Na]+	169.029368	136.7
[M-H]-	145.032874	129.8
[M+NH4]+	164.073973	151.1
[M+K]+	185.003308	135.6
[M+H-H2O]+	129.037410	124.4
[M+HCOO]-	191.038351	147.3
[M+CH3COO]-	205.054001	173.4
[M+Na-2H]-	167.014816	131.5
[M]+	146.03960142	133.3
[M]-	146.04069858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe