CID 522459

Amyl methyl disulfide

Structural Information

Molecular Formula

C₆H₁₄S₂

SMILES

CCCCCSSC

InChI

InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3

InChIKey

VDJXDNLYBDHPHP-UHFFFAOYSA-N

Compound name

1-(methyldisulfanyl)pentane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 86
Patents: 150.0537 Da
Monoisotopic Mass: 2.7
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]+	151.06098	128.2
[M+Na]+	173.04292	135.4
[M-H]-	149.04642	128.5
[M+NH4]+	168.08752	150.3
[M+K]+	189.01686	132.7
[M+H-H2O]+	133.05096	123.2
[M+HCOO]-	195.05190	140.5
[M+CH3COO]-	209.06755	176.5
[M+Na-2H]-	171.02837	128.9
[M]+	150.05315	132.1
[M]-	150.05425	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe