CID 12232

Dimethyl disulfide

Structural Information

Molecular Formula

C₂H₆S₂

SMILES

CSSC

InChI

InChI=1S/C2H6S2/c1-3-4-2/h1-2H3

InChIKey

WQOXQRCZOLPYPM-UHFFFAOYSA-N

Compound name

(methyldisulfanyl)methane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 548
References: 37576
Patents: 93.99109 Da
Monoisotopic Mass: 1.8
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]+	94.998366	111.1
[M+Na]+	116.98031	120.0
[M-H]-	92.983814	112.1
[M+NH4]+	112.02491	135.3
[M+K]+	132.95425	118.4
[M+H-H2O]+	76.988350	106.9
[M+HCOO]-	138.98929	124.6
[M+CH3COO]-	153.00494	164.6
[M+Na-2H]-	114.96576	113.7
[M]+	93.990541	113.6
[M]-	93.991639	113.6

Literature stripe

literature stripe

Patent stripe

patents stripe