CID 522111

Butyl ethyl disulfide

Structural Information

Molecular Formula

C₆H₁₄S₂

SMILES

CCCCSSCC

InChI

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

InChIKey

QEYJAENSRLNDFW-UHFFFAOYSA-N

Compound name

1-(ethyldisulfanyl)butane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 181
Patents: 150.0537 Da
Monoisotopic Mass: 2.5
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	130.8
[M+Na]+	173.04292	140.9
[M+NH4]+	168.08752	140.6
[M+K]+	189.01686	130.4
[M-H]-	149.04642	132.0
[M+Na-2H]-	171.02837	133.7
[M]+	150.05315	133.5
[M]-	150.05425	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe