CID 101415650

Ethyl 1-(propylthio)propyl disulfide

Structural Information

Molecular Formula

C₈H₁₈S₃

SMILES

CCCSC(CC)SSCC

InChI

InChI=1S/C8H18S3/c1-4-7-9-8(5-2)11-10-6-3/h8H,4-7H2,1-3H3

InChIKey

RUSQALPVLQHISO-UHFFFAOYSA-N

Compound name

1-(ethyldisulfanyl)-1-propylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.05707 Da
Monoisotopic Mass: 3.9
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]+	211.06435	143.2
[M+Na]+	233.04629	151.4
[M+NH4]+	228.09089	152.5
[M+K]+	249.02023	140.1
[M-H]-	209.04979	144.2
[M+Na-2H]-	231.03174	144.2
[M]+	210.05652	146.0
[M]-	210.05762	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.