CID 292469

Methylsulfonyl acetate

Structural Information

Molecular Formula
C3H6O4S
SMILES
CC(=O)OS(=O)(=O)C
InChI
InChI=1S/C3H6O4S/c1-3(4)7-8(2,5)6/h1-2H3
InChIKey
SMQSMQUBQPWGAO-UHFFFAOYSA-N
Compound name
methylsulfonyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

637
Patents

137.99867 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.00595 121.7
[M+Na]+ 160.98789 130.9
[M-H]- 136.99139 123.0
[M+NH4]+ 156.03249 143.9
[M+K]+ 176.96183 131.1
[M+H-H2O]+ 120.99593 117.7
[M+HCOO]- 182.99687 140.0
[M+CH3COO]- 197.01252 167.8
[M+Na-2H]- 158.97334 126.5
[M]+ 137.99812 126.4
[M]- 137.99922 126.4
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