CID 327189

62729-17-3

Structural Information

Molecular Formula
C5H6O4S
SMILES
C1C2C(CS1=O)OC(=O)O2
InChI
InChI=1S/C5H6O4S/c6-5-8-3-1-10(7)2-4(3)9-5/h3-4H,1-2H2
InChIKey
DXRFKRUHRSOBFI-UHFFFAOYSA-N
Compound name
5-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

161.99867 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00595 127.4
[M+Na]+ 184.98789 137.5
[M-H]- 160.99139 134.0
[M+NH4]+ 180.03249 151.0
[M+K]+ 200.96183 139.0
[M+H-H2O]+ 144.99593 125.2
[M+HCOO]- 206.99687 144.9
[M+CH3COO]- 221.01252 171.2
[M+Na-2H]- 182.97334 130.8
[M]+ 161.99812 130.9
[M]- 161.99922 130.9
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.