CID 131802186

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

Structural Information

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

2D Structure

compound 2d structure
1
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 210.0
[M+Na]+ 437.32375 219.8
[M+NH4]+ 432.36835 219.5
[M+K]+ 453.29769 217.4
[M-H]- 413.32725 207.5
[M+Na-2H]- 435.30920 206.3
[M]+ 414.33398 215.3
[M]- 414.33508 215.3
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.