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]+ 263.02198 153.2
[M+Na]+ 285.00392 161.4
[M-H]- 261.00742 159.5
[M+NH4]+ 280.04852 172.5
[M+K]+ 300.97786 163.8
[M+H-H2O]+ 245.01196 150.8
[M+HCOO]- 307.01290 168.1
[M+CH3COO]- 321.02855 190.6
[M+Na-2H]- 282.98937 153.0
[M]+ 262.01415 160.8
[M]- 262.01525 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.