CID 18064

2949-92-0

Structural Information

Molecular Formula

C₂H₆O₂S₂

SMILES

CSS(=O)(=O)C

InChI

InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3

InChIKey

XYONNSVDNIRXKZ-UHFFFAOYSA-N

Compound name

methylsulfonylsulfanylmethane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 226
References: 2551
Patents: 125.98092 Da
Monoisotopic Mass: 0.0
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]+	126.98820	125.1
[M+Na]+	148.97014	134.6
[M+NH4]+	144.01474	133.5
[M+K]+	164.94408	126.7
[M-H]-	124.97364	124.1
[M+Na-2H]-	146.95559	127.3
[M]+	125.98037	127.0
[M]-	125.98147	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe