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

2906
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

literature stripe

Patent stripe

patents stripe