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
3
Annotation Hits

0
References

261
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 221.0
[M+Na]+ 463.30300 222.7
[M+NH4]+ 458.34760 224.0
[M+K]+ 479.27694 221.0
[M-H]- 439.30650 212.7
[M+Na-2H]- 461.28845 224.5
[M]+ 440.31323 219.1
[M]- 440.31433 219.1
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