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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.074046	159.9
[M+Na]+	311.055988	166.5
[M-H]-	287.059494	163.3
[M+NH4]+	306.100593	179.3
[M+K]+	327.029928	165.4
[M+H-H2O]+	271.064030	156.3
[M+HCOO]-	333.064971	174.1
[M+CH3COO]-	347.080621	196.4
[M+Na-2H]-	309.041436	156.4
[M]+	288.06622142	164.2
[M]-	288.06731858	164.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.