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

132
Patents

404.31378 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.321056 209.3
[M+Na]+ 427.302998 207.5
[M-H]- 403.306504 201.7
[M+NH4]+ 422.347603 209.8
[M+K]+ 443.276938 205.3
[M+H-H2O]+ 387.311040 201.8
[M+HCOO]- 449.311981 210.8
[M+CH3COO]- 463.327631 220.8
[M+Na-2H]- 425.288446 201.6
[M]+ 404.31323142 208.1
[M]- 404.31432858 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