CID 373712

440125-03-1

Structural Information

Molecular Formula
C11H20O10S2
SMILES
CCOC(=O)C(COS(=O)(=O)C)(COS(=O)(=O)C)C(=O)OCC
InChI
InChI=1S/C11H20O10S2/c1-5-18-9(12)11(10(13)19-6-2,7-20-22(3,14)15)8-21-23(4,16)17/h5-8H2,1-4H3
InChIKey
IPNRYBPVZHCTJL-UHFFFAOYSA-N
Compound name
diethyl 2,2-bis(methylsulfonyloxymethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

376.04977 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.05705 178.8
[M+Na]+ 399.03899 182.6
[M-H]- 375.04249 183.3
[M+NH4]+ 394.08359 193.3
[M+K]+ 415.01293 182.2
[M+H-H2O]+ 359.04703 172.8
[M+HCOO]- 421.04797 200.8
[M+CH3COO]- 435.06362 207.2
[M+Na-2H]- 397.02444 182.3
[M]+ 376.04922 191.1
[M]- 376.05032 191.1
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