CID 9910684

Diglycerin monoisostearate

Structural Information

Molecular Formula
C24H48O6
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OCC(COCC(CO)O)O
InChI
InChI=1S/C24H48O6/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24(28)30-20-23(27)19-29-18-22(26)17-25/h21-23,25-27H,3-20H2,1-2H3
InChIKey
WVRJNKBXUMGBGG-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

117
Patents

432.3451 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.35238 222.0
[M+Na]+ 455.33432 222.9
[M+NH4]+ 450.37892 223.1
[M+K]+ 471.30826 220.6
[M-H]- 431.33782 212.6
[M+Na-2H]- 453.31977 208.2
[M]+ 432.34455 219.1
[M]- 432.34565 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