CID 207916

S-methyl dithioperoxypropionate

Structural Information

Molecular Formula

SMILES

CCC(=O)SSC

InChI

InChI=1S/C4H8OS2/c1-3-4(5)7-6-2/h3H2,1-2H3

InChIKey

PRESJFJPONQWDT-UHFFFAOYSA-N

Compound name

S-methylsulfanyl propanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 136.00166 Da
Monoisotopic Mass: 1.2
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]+	137.00894	123.4
[M+Na]+	158.99088	131.3
[M-H]-	134.99438	124.1
[M+NH4]+	154.03548	145.8
[M+K]+	174.96482	129.3
[M+H-H2O]+	118.99892	118.7
[M+HCOO]-	180.99986	135.6
[M+CH3COO]-	195.01551	171.5
[M+Na-2H]-	156.97633	124.1
[M]+	136.00111	126.6
[M]-	136.00221	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe