CID 139032931

Diglyceryl monoisopalmitate

Structural Information

Molecular Formula
C22H44O6
SMILES
CC(C)CCCCCCCCCCCCC(=O)OCC(COCC(CO)O)O
InChI
InChI=1S/C22H44O6/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-22(26)28-18-21(25)17-27-16-20(24)15-23/h19-21,23-25H,3-18H2,1-2H3
InChIKey
DKGAKJQCMZHKAC-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

404.31378 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.32106 209.3
[M+Na]+ 427.30300 207.5
[M-H]- 403.30650 201.7
[M+NH4]+ 422.34760 209.8
[M+K]+ 443.27694 205.3
[M+H-H2O]+ 387.31104 201.8
[M+HCOO]- 449.31198 210.8
[M+CH3COO]- 463.32763 220.8
[M+Na-2H]- 425.28845 201.6
[M]+ 404.31323 208.1
[M]- 404.31433 208.1
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