CID 108335

Dtxsid50865409

Structural Information

Molecular Formula
C25H44O6
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C25H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h11-12,24H,4-10,13-21H2,1-3H3
InChIKey
KXLSJQTXSAYFDL-UHFFFAOYSA-N
Compound name
2,3-diacetyloxypropyl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

303
Patents

440.31378 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.32106 216.6
[M+Na]+ 463.30300 225.3
[M-H]- 439.30650 210.9
[M+NH4]+ 458.34760 224.2
[M+K]+ 479.27694 221.8
[M+H-H2O]+ 423.31104 220.1
[M+HCOO]- 485.31198 223.9
[M+CH3COO]- 499.32763 232.4
[M+Na-2H]- 461.28845 207.1
[M]+ 440.31323 218.0
[M]- 440.31433 218.0
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