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: 57
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	138.0
[M+Na]+	212.89652	145.2
[M-H]-	188.90002	135.1
[M+NH4]+	207.94112	154.8
[M+K]+	228.87046	135.3
[M+H-H2O]+	172.90456	131.7
[M+HCOO]-	234.90550	132.1
[M+CH3COO]-	248.92115	186.0
[M+Na-2H]-	210.88197	137.1
[M]+	189.90675	133.1
[M]-	189.90785	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe