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: 132
Patents: 432.3451 Da
Monoisotopic Mass: 6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	433.352376	217.4
[M+Na]+	455.334318	221.2
[M-H]-	431.337824	208.2
[M+NH4]+	450.378923	217.0
[M+K]+	471.308258	218.9
[M+H-H2O]+	415.342360	210.1
[M+HCOO]-	477.343301	217.2
[M+CH3COO]-	491.358951	226.5
[M+Na-2H]-	453.319766	209.3
[M]+	432.34455142	215.2
[M]-	432.34564858	215.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe