CID 62214667

Methyl4-hydroxy-1,1-dioxo-1lambda6-thiane-4-carboxylate

Structural Information

Molecular Formula
C7H12O5S
SMILES
COC(=O)C1(CCS(=O)(=O)CC1)O
InChI
InChI=1S/C7H12O5S/c1-12-6(8)7(9)2-4-13(10,11)5-3-7/h9H,2-5H2,1H3
InChIKey
MXOKWZHPSCBAEM-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-1,1-dioxothiane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04054 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04782 142.1
[M+Na]+ 231.02976 150.3
[M+NH4]+ 226.07436 151.3
[M+K]+ 247.00370 141.8
[M-H]- 207.03326 141.0
[M+Na-2H]- 229.01521 147.5
[M]+ 208.03999 143.3
[M]- 208.04109 143.3
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

No patent data available for this compound.