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
7
Annotation Hits

226
References

2746
Patents

125.98092 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.98820 119.8
[M+Na]+ 148.97014 129.2
[M-H]- 124.97364 120.8
[M+NH4]+ 144.01474 142.5
[M+K]+ 164.94408 127.2
[M+H-H2O]+ 108.97818 115.6
[M+HCOO]- 170.97912 132.7
[M+CH3COO]- 184.99477 166.8
[M+Na-2H]- 146.95559 123.0
[M]+ 125.98037 123.1
[M]- 125.98147 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.