CID 103853

Ethylhexyloxyglyceryl palmitate

Structural Information

Molecular Formula
C27H54O4
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COCC(CC)CCCC)O
InChI
InChI=1S/C27H54O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-27(29)31-24-26(28)23-30-22-25(6-3)20-8-5-2/h25-26,28H,4-24H2,1-3H3
InChIKey
FYFBAZOROQDDTN-UHFFFAOYSA-N
Compound name
[3-(2-ethylhexoxy)-2-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

442.40222 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.40950 226.2
[M+Na]+ 465.39144 230.7
[M-H]- 441.39494 212.5
[M+NH4]+ 460.43604 225.8
[M+K]+ 481.36538 220.1
[M+H-H2O]+ 425.39948 217.8
[M+HCOO]- 487.40042 229.1
[M+CH3COO]- 501.41607 235.4
[M+Na-2H]- 463.37689 218.0
[M]+ 442.40167 225.0
[M]- 442.40277 225.0
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