CID 131802090

Dg(8:0/15:0/0:0)

Structural Information

Molecular Formula
C26H50O5
SMILES
CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC
InChI
InChI=1S/C26H50O5/c1-3-5-7-9-10-11-12-13-14-15-17-19-21-26(29)31-24(22-27)23-30-25(28)20-18-16-8-6-4-2/h24,27H,3-23H2,1-2H3/t24-/m0/s1
InChIKey
PHERGCZDWYMUOF-DEOSSOPVSA-N
Compound name
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

442.3658 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.373076 221.2
[M+Na]+ 465.355018 227.5
[M-H]- 441.358524 210.8
[M+NH4]+ 460.399623 223.4
[M+K]+ 481.328958 224.9
[M+H-H2O]+ 425.363060 214.2
[M+HCOO]- 487.364001 226.9
[M+CH3COO]- 501.379651 232.9
[M+Na-2H]- 463.340466 215.1
[M]+ 442.36525142 221.4
[M]- 442.36634858 221.4
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.