CID 101415651

Butyl 1-(methylthio)propyl disulfide

Structural Information

Molecular Formula

C₈H₁₈S₃

SMILES

CCCCSSC(CC)SC

InChI

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

InChIKey

UPAOYAAHONYLHZ-UHFFFAOYSA-N

Compound name

1-(1-methylsulfanylpropyldisulfanyl)butane

Related CIDs

2D Structure

compound 2d structure

2
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	141.6
[M+Na]+	233.04629	147.2
[M-H]-	209.04979	140.6
[M+NH4]+	228.09089	160.5
[M+K]+	249.02023	142.2
[M+H-H2O]+	193.05433	135.6
[M+HCOO]-	255.05527	145.8
[M+CH3COO]-	269.07092	188.8
[M+Na-2H]-	231.03174	138.9
[M]+	210.05652	144.5
[M]-	210.05762	144.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.