CID 3085464

71426-88-5

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

33
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 209.6
[M+Na]+ 495.14730 211.8
[M+NH4]+ 490.19190 216.6
[M+K]+ 511.12124 210.4
[M-H]- 471.15080 209.3
[M+Na-2H]- 493.13275 216.6
[M]+ 472.15753 210.6
[M]- 472.15863 210.6
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