CID 103853

53890-13-4

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
2
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 221.2
[M+Na]+ 465.39144 229.7
[M+NH4]+ 460.43604 229.3
[M+K]+ 481.36538 227.5
[M-H]- 441.39494 215.6
[M+Na-2H]- 463.37689 217.3
[M]+ 442.40167 224.9
[M]- 442.40277 224.9
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