CID 44465261

Diglycerol monopalmitate

Structural Information

Molecular Formula

C₂₂H₄₄O₆

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COCC(CO)O)O

InChI

InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)28-19-21(25)18-27-17-20(24)16-23/h20-21,23-25H,2-19H2,1H3

InChIKey

WOGWRXSITPCETK-UHFFFAOYSA-N

Compound name

[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] hexadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 497
Patents: 404.31378 Da
Monoisotopic Mass: 5.6
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]+	405.321056	208.6
[M+Na]+	427.302998	207.0
[M-H]-	403.306504	200.7
[M+NH4]+	422.347603	208.7
[M+K]+	443.276938	204.2
[M+H-H2O]+	387.311040	200.9
[M+HCOO]-	449.311981	213.6
[M+CH3COO]-	463.327631	219.9
[M+Na-2H]-	425.288446	202.2
[M]+	404.31323142	208.5
[M]-	404.31432858	208.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe