CID 474232

2-(methylcarbonylthio)-1-(methylthio)ethane

Structural Information

Molecular Formula

C₅H₁₀OS₂

SMILES

CC(=O)SCCSC

InChI

InChI=1S/C5H10OS2/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3

InChIKey

YZBWNCJZCOVBOP-UHFFFAOYSA-N

Compound name

S-(2-methylsulfanylethyl) ethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 150.0173 Da
Monoisotopic Mass: 1.3
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]+	151.02458	127.7
[M+Na]+	173.00652	135.2
[M-H]-	149.01002	128.2
[M+NH4]+	168.05112	149.6
[M+K]+	188.98046	132.9
[M+H-H2O]+	133.01456	122.8
[M+HCOO]-	195.01550	139.6
[M+CH3COO]-	209.03115	174.5
[M+Na-2H]-	170.99197	127.9
[M]+	150.01675	131.3
[M]-	150.01785	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe