CID 3049190

64576-16-5

Structural Information

Molecular Formula
C12H16O6S
SMILES
CC(=C)C(=O)OC1CS(=O)(=O)CC1OC(=O)C(=C)C
InChI
InChI=1S/C12H16O6S/c1-7(2)11(13)17-9-5-19(15,16)6-10(9)18-12(14)8(3)4/h9-10H,1,3,5-6H2,2,4H3
InChIKey
PCKNMVUSOJFXIZ-UHFFFAOYSA-N
Compound name
[4-(2-methylprop-2-enoyloxy)-1,1-dioxothiolan-3-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06677 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07405 159.9
[M+Na]+ 311.05599 166.5
[M-H]- 287.05949 163.3
[M+NH4]+ 306.10059 179.3
[M+K]+ 327.02993 165.4
[M+H-H2O]+ 271.06403 156.3
[M+HCOO]- 333.06497 174.1
[M+CH3COO]- 347.08062 196.4
[M+Na-2H]- 309.04144 156.4
[M]+ 288.06622 164.2
[M]- 288.06732 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.