CID 327188

62729-33-3

Structural Information

Molecular Formula
C5H6O3S
SMILES
C1C2C(CS1)OC(=O)O2
InChI
InChI=1S/C5H6O3S/c6-5-7-3-1-9-2-4(3)8-5/h3-4H,1-2H2
InChIKey
HCBUMJUGIHKWQZ-UHFFFAOYSA-N
Compound name
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

0
Patents

146.00377 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.01105 125.2
[M+Na]+ 168.99299 134.4
[M-H]- 144.99649 131.5
[M+NH4]+ 164.03759 149.3
[M+K]+ 184.96693 136.1
[M+H-H2O]+ 129.00103 122.7
[M+HCOO]- 191.00197 142.4
[M+CH3COO]- 205.01762 140.5
[M+Na-2H]- 166.97844 129.0
[M]+ 146.00322 127.5
[M]- 146.00432 127.5
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.