CID 10131025

Allyl pentasulfide

Structural Information

Molecular Formula

C₆H₁₀S₅

SMILES

C=CCSSSSSCC=C

InChI

InChI=1S/C6H10S5/c1-3-5-7-9-11-10-8-6-4-2/h3-4H,1-2,5-6H2

InChIKey

CPDTWYIIHJBBCB-UHFFFAOYSA-N

Compound name

3-(prop-2-enylpentasulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 112
Patents: 241.9386 Da
Monoisotopic Mass: 3.5
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]+	242.94588	151.9
[M+Na]+	264.92782	158.1
[M-H]-	240.93132	148.3
[M+NH4]+	259.97242	166.8
[M+K]+	280.90176	146.2
[M+H-H2O]+	224.93586	145.1
[M+HCOO]-	286.93680	145.4
[M+CH3COO]-	300.95245	194.5
[M+Na-2H]-	262.91327	149.7
[M]+	241.93805	147.0
[M]-	241.93915	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe