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
3
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 217.4
[M+Na]+ 455.33432 221.2
[M-H]- 431.33782 208.2
[M+NH4]+ 450.37892 217.0
[M+K]+ 471.30826 218.9
[M+H-H2O]+ 415.34236 210.1
[M+HCOO]- 477.34330 217.2
[M+CH3COO]- 491.35895 226.5
[M+Na-2H]- 453.31977 209.3
[M]+ 432.34455 215.2
[M]- 432.34565 215.2
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