CID 327191

62729-50-4

Structural Information

Molecular Formula
C9H10O7S
SMILES
CC(=O)OC1C2C(C(S1)OC(=O)C)OC(=O)O2
InChI
InChI=1S/C9H10O7S/c1-3(10)13-7-5-6(16-9(12)15-5)8(17-7)14-4(2)11/h5-8H,1-2H3
InChIKey
KLLNIGSJTTUBHJ-UHFFFAOYSA-N
Compound name
(4-acetyloxy-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0147 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.021976 153.2
[M+Na]+ 285.003918 161.4
[M-H]- 261.007424 159.5
[M+NH4]+ 280.048523 172.5
[M+K]+ 300.977858 163.8
[M+H-H2O]+ 245.011960 150.8
[M+HCOO]- 307.012901 168.1
[M+CH3COO]- 321.028551 190.6
[M+Na-2H]- 282.989366 153.0
[M]+ 262.01415142 160.8
[M]- 262.01524858 160.8
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.