CID 131802085

Dg(8:0/13:0/0:0)

Structural Information

Molecular Formula
C24H46O5
SMILES
CCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC
InChI
InChI=1S/C24H46O5/c1-3-5-7-9-10-11-12-13-15-17-19-24(27)29-22(20-25)21-28-23(26)18-16-14-8-6-4-2/h22,25H,3-21H2,1-2H3/t22-/m0/s1
InChIKey
PPOHFHWYIBFTFK-QFIPXVFZSA-N
Compound name
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

414.33453 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.34181 213.9
[M+Na]+ 437.32375 213.0
[M-H]- 413.32725 204.3
[M+NH4]+ 432.36835 216.2
[M+K]+ 453.29769 210.0
[M+H-H2O]+ 397.33179 205.9
[M+HCOO]- 459.33273 220.4
[M+CH3COO]- 473.34838 227.2
[M+Na-2H]- 435.30920 207.4
[M]+ 414.33398 214.2
[M]- 414.33508 214.2
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.