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

124
Patents

168.00925 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01653 129.3
[M+Na]+ 190.99847 137.8
[M-H]- 167.00197 130.2
[M+NH4]+ 186.04307 150.2
[M+K]+ 206.97241 138.3
[M+H-H2O]+ 151.00651 124.9
[M+HCOO]- 213.00745 147.5
[M+CH3COO]- 227.02310 172.9
[M+Na-2H]- 188.98392 133.8
[M]+ 168.00870 135.8
[M]- 168.00980 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