CID 327190

Nsc301198

Structural Information

Molecular Formula
C7H8O5S
SMILES
CC(=O)OC1C2C(CS1)OC(=O)O2
InChI
InChI=1S/C7H8O5S/c1-3(8)10-6-5-4(2-13-6)11-7(9)12-5/h4-6H,2H2,1H3
InChIKey
PHHFUAYNDYZLHG-UHFFFAOYSA-N
Compound name
(2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00925 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01653 139.9
[M+Na]+ 226.99847 148.7
[M-H]- 203.00197 146.2
[M+NH4]+ 222.04307 161.7
[M+K]+ 242.97241 150.6
[M+H-H2O]+ 187.00651 137.5
[M+HCOO]- 249.00745 156.0
[M+CH3COO]- 263.02310 179.5
[M+Na-2H]- 224.98392 141.6
[M]+ 204.00870 144.9
[M]- 204.00980 144.9
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.