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

6
Annotation Hits: 0
References: 221
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]+	151.060976	128.2
[M+Na]+	173.042918	135.4
[M-H]-	149.046424	128.5
[M+NH4]+	168.087523	150.3
[M+K]+	189.016858	132.7
[M+H-H2O]+	133.050960	123.2
[M+HCOO]-	195.051901	140.5
[M+CH3COO]-	209.067551	176.5
[M+Na-2H]-	171.028366	128.9
[M]+	150.05315142	132.1
[M]-	150.05424858	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe