CID 9951604

Diglyceryl monomyristate

Structural Information

Molecular Formula

C₂₀H₄₀O₆

SMILES

CCCCCCCCCCCCCC(=O)OCC(COCC(CO)O)O

InChI

InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)26-17-19(23)16-25-15-18(22)14-21/h18-19,21-23H,2-17H2,1H3

InChIKey

GGCDQHOMAXJOTJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 209
Patents: 376.2825 Da
Monoisotopic Mass: 4.5
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]+	377.289776	199.9
[M+Na]+	399.271718	199.2
[M-H]-	375.275224	193.2
[M+NH4]+	394.316323	201.4
[M+K]+	415.245658	196.8
[M+H-H2O]+	359.279760	192.5
[M+HCOO]-	421.280701	207.1
[M+CH3COO]-	435.296351	214.1
[M+Na-2H]-	397.257166	194.5
[M]+	376.28195142	206.6
[M]-	376.28304858	206.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe