CID 256388

33599-07-4

Structural Information

Molecular Formula
C25H46O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C25H46O6/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/h24H,4-21H2,1-3H3
InChIKey
WSYNAKWAAXYNMW-UHFFFAOYSA-N
Compound name
2,3-diacetyloxypropyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

654
Patents

442.32944 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.33672 218.6
[M+Na]+ 465.31866 226.7
[M-H]- 441.32216 212.0
[M+NH4]+ 460.36326 225.9
[M+K]+ 481.29260 223.7
[M+H-H2O]+ 425.32670 222.1
[M+HCOO]- 487.32764 225.0
[M+CH3COO]- 501.34329 233.8
[M+Na-2H]- 463.30411 208.6
[M]+ 442.32889 220.2
[M]- 442.32999 220.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe