CID 79059

Ethyl methyl sulfone

Structural Information

Molecular Formula
C3H8O2S
SMILES
CCS(=O)(=O)C
InChI
InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
InChIKey
YBJCDTIWNDBNTM-UHFFFAOYSA-N
Compound name
1-methylsulfonylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27106
Patents

108.0245 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.03178 116.5
[M+Na]+ 131.01372 125.9
[M-H]- 107.01722 117.8
[M+NH4]+ 126.05832 140.2
[M+K]+ 146.98766 125.5
[M+H-H2O]+ 91.021760 112.9
[M+HCOO]- 153.02270 135.1
[M+CH3COO]- 167.03835 164.5
[M+Na-2H]- 128.99917 122.1
[M]+ 108.02395 119.8
[M]- 108.02505 119.8
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