CID 131799255

Dg(16:0/0:0/8:0)

Structural Information

Molecular Formula
C27H52O5
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)O
InChI
InChI=1S/C27H52O5/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-27(30)32-24-25(28)23-31-26(29)21-19-17-8-6-4-2/h25,28H,3-24H2,1-2H3/t25-/m0/s1
InChIKey
NNFWFJOSHUBWOJ-VWLOTQADSA-N
Compound name
[(2S)-2-hydroxy-3-octanoyloxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.38147 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.38875 228.9
[M+Na]+ 479.37069 230.0
[M+NH4]+ 474.41529 229.9
[M+K]+ 495.34463 228.1
[M-H]- 455.37419 217.0
[M+Na-2H]- 477.35614 230.5
[M]+ 456.38092 225.6
[M]- 456.38202 225.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.