CID 522458

Butyl propyl disulfide

Structural Information

Molecular Formula

C₇H₁₆S₂

SMILES

CCCCSSCCC

InChI

InChI=1S/C7H16S2/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3

InChIKey

VITWKRWSBFUVDT-UHFFFAOYSA-N

Compound name

1-(propyldisulfanyl)butane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 89
Patents: 164.06934 Da
Monoisotopic Mass: 3.1
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]+	165.07662	134.9
[M+Na]+	187.05856	144.8
[M+NH4]+	182.10316	144.6
[M+K]+	203.03250	134.0
[M-H]-	163.06206	136.1
[M+Na-2H]-	185.04401	137.6
[M]+	164.06879	137.6
[M]-	164.06989	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe