CID 131802092

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

Structural Information

Molecular Formula
C26H50O5
SMILES
CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC(C)CC
InChI
InChI=1S/C26H50O5/c1-4-6-7-12-16-19-25(28)30-22-24(21-27)31-26(29)20-17-14-11-9-8-10-13-15-18-23(3)5-2/h23-24,27H,4-22H2,1-3H3/t23?,24-/m0/s1
InChIKey
SUFHSDJUHDNGCN-CGAIIQECSA-N
Compound name
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
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]+ 443.373076 220.7
[M+Na]+ 465.355018 227.4
[M-H]- 441.358524 211.8
[M+NH4]+ 460.399623 224.5
[M+K]+ 481.328958 225.5
[M+H-H2O]+ 425.363060 215.0
[M+HCOO]- 487.364001 224.1
[M+CH3COO]- 501.379651 233.7
[M+Na-2H]- 463.340466 209.3
[M]+ 442.36525142 220.9
[M]- 442.36634858 220.9
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.