CID 131799248

Dg(i-14:0/0:0/8:0)

Structural Information

Molecular Formula
C25H48O5
SMILES
CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)O
InChI
InChI=1S/C25H48O5/c1-4-5-6-11-15-18-24(27)29-20-23(26)21-30-25(28)19-16-13-10-8-7-9-12-14-17-22(2)3/h22-23,26H,4-21H2,1-3H3/t23-/m0/s1
InChIKey
ZGZIVASEXSNNTA-QHCPKHFHSA-N
Compound name
[(2S)-2-hydroxy-3-octanoyloxypropyl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.3502 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.35748 213.9
[M+Na]+ 451.33942 223.6
[M+NH4]+ 446.38402 224.2
[M+K]+ 467.31336 221.4
[M-H]- 427.34292 212.3
[M+Na-2H]- 449.32487 209.6
[M]+ 428.34965 219.5
[M]- 428.35075 219.5
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.