CID 3085464

Carbonic acid, 2,2-bis((((2-propenyloxy)carbonyl)oxy)methyl)-1,3-propanediyl di-2-propenyl ester

Structural Information

Molecular Formula
C21H28O12
SMILES
C=CCOC(=O)OCC(COC(=O)OCC=C)(COC(=O)OCC=C)COC(=O)OCC=C
InChI
InChI=1S/C21H28O12/c1-5-9-26-17(22)30-13-21(14-31-18(23)27-10-6-2,15-32-19(24)28-11-7-3)16-33-20(25)29-12-8-4/h5-8H,1-4,9-16H2
InChIKey
BMNNFEWUVQWGFY-UHFFFAOYSA-N
Compound name
[3-prop-2-enoxycarbonyloxy-2,2-bis(prop-2-enoxycarbonyloxymethyl)propyl] prop-2-enyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

472.15808 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.16536 213.4
[M+Na]+ 495.14730 221.7
[M-H]- 471.15080 218.8
[M+NH4]+ 490.19190 228.5
[M+K]+ 511.12124 215.6
[M+H-H2O]+ 455.15534 216.6
[M+HCOO]- 517.15628 226.3
[M+CH3COO]- 531.17193 227.8
[M+Na-2H]- 493.13275 205.4
[M]+ 472.15753 217.3
[M]- 472.15863 217.3
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

patents stripe