CID 146790

23550-26-7

Structural Information

Molecular Formula
C4H8O5S
SMILES
COC(=O)COS(=O)(=O)C
InChI
InChI=1S/C4H8O5S/c1-8-4(5)3-9-10(2,6)7/h3H2,1-2H3
InChIKey
FLDKUAVFNVBXIN-UHFFFAOYSA-N
Compound name
methyl 2-methylsulfonyloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

168.00925 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.016526 129.3
[M+Na]+ 190.998468 137.8
[M-H]- 167.001974 130.2
[M+NH4]+ 186.043073 150.2
[M+K]+ 206.972408 138.3
[M+H-H2O]+ 151.006510 124.9
[M+HCOO]- 213.007451 147.5
[M+CH3COO]- 227.023101 172.9
[M+Na-2H]- 188.983916 133.8
[M]+ 168.00870142 135.8
[M]- 168.00979858 135.8
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

patents stripe