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

293
Patents

376.2825 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.28978 199.9
[M+Na]+ 399.27172 199.2
[M-H]- 375.27522 193.2
[M+NH4]+ 394.31632 201.4
[M+K]+ 415.24566 196.8
[M+H-H2O]+ 359.27976 192.5
[M+HCOO]- 421.28070 207.1
[M+CH3COO]- 435.29635 214.1
[M+Na-2H]- 397.25717 194.5
[M]+ 376.28195 206.6
[M]- 376.28305 206.6
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