CID 6429019

Ethyl 1-(methylthio)propyl disulfide

Structural Information

Molecular Formula

C₆H₁₄S₃

SMILES

CCC(SC)SSCC

InChI

InChI=1S/C6H14S3/c1-4-6(7-3)9-8-5-2/h6H,4-5H2,1-3H3

InChIKey

YPJBMNWGGROJKJ-UHFFFAOYSA-N

Compound name

1-(ethyldisulfanyl)-1-methylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 182.02576 Da
Monoisotopic Mass: 3.0
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]+	183.03304	135.6
[M+Na]+	205.01498	144.2
[M+NH4]+	200.05958	145.2
[M+K]+	220.98892	133.3
[M-H]-	181.01848	136.7
[M+Na-2H]-	203.00043	136.9
[M]+	182.02521	138.5
[M]-	182.02631	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.