CID 81772

Dimethyl pentasulfide

Structural Information

Molecular Formula

C₂H₆S₅

SMILES

CSSSSSC

InChI

InChI=1S/C2H6S5/c1-3-5-7-6-4-2/h1-2H3

InChIKey

HFHOSCCMQJJVKR-UHFFFAOYSA-N

Compound name

(methylpentasulfanyl)methane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 42
Patents: 189.9073 Da
Monoisotopic Mass: 2.2
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]+	190.91458	128.8
[M+Na]+	212.89652	136.1
[M+NH4]+	207.94112	138.2
[M+K]+	228.87046	124.2
[M-H]-	188.90002	130.4
[M+Na-2H]-	210.88197	128.4
[M]+	189.90675	132.3
[M]-	189.90785	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe