CID 44465261

Diglycerol monopalmitate

Structural Information

Molecular Formula
C22H44O6
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COCC(CO)O)O
InChI
InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)28-19-21(25)18-27-17-20(24)16-23/h20-21,23-25H,2-19H2,1H3
InChIKey
WOGWRXSITPCETK-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

665
Patents

404.31378 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.32106 208.6
[M+Na]+ 427.30300 207.0
[M-H]- 403.30650 200.7
[M+NH4]+ 422.34760 208.7
[M+K]+ 443.27694 204.2
[M+H-H2O]+ 387.31104 200.9
[M+HCOO]- 449.31198 213.6
[M+CH3COO]- 463.32763 219.9
[M+Na-2H]- 425.28845 202.2
[M]+ 404.31323 208.5
[M]- 404.31433 208.5
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