CID 131802187

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

Structural Information

Molecular Formula
C24H46O5
SMILES
CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCC(C)C
InChI
InChI=1S/C24H46O5/c1-4-5-6-10-15-18-24(27)29-22(19-25)20-28-23(26)17-14-12-9-7-8-11-13-16-21(2)3/h21-22,25H,4-20H2,1-3H3/t22-/m0/s1
InChIKey
SXSDIVVWQKUYPP-QFIPXVFZSA-N
Compound name
[(2S)-3-hydroxy-2-octanoyloxypropyl] 11-methyldodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.33453 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.34181 209.7
[M+Na]+ 437.32375 220.2
[M+NH4]+ 432.36835 220.7
[M+K]+ 453.29769 217.8
[M-H]- 413.32725 209.1
[M+Na-2H]- 435.30920 205.7
[M]+ 414.33398 216.1
[M]- 414.33508 216.1
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.