CID 131802318

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

Structural Information

Molecular Formula
C26H50O5
SMILES
CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C26H50O5/c1-4-5-6-12-17-20-26(29)31-24(21-27)22-30-25(28)19-16-14-11-9-7-8-10-13-15-18-23(2)3/h23-24,27H,4-22H2,1-3H3/t24-/m0/s1
InChIKey
AZYNTRSTHWTCTQ-DEOSSOPVSA-N
Compound name
[(2S)-3-hydroxy-2-octanoyloxypropyl] 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.3658 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.37308 225.8
[M+Na]+ 465.35502 227.0
[M+NH4]+ 460.39962 227.7
[M+K]+ 481.32896 225.0
[M-H]- 441.35852 215.5
[M+Na-2H]- 463.34047 228.1
[M]+ 442.36525 223.0
[M]- 442.36635 223.0
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.