CID 131802189

Dg(13:0/10:0/0:0)

Structural Information

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

2D Structure

compound 2d structure
1
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]+ 443.37308 221.2
[M+Na]+ 465.35502 227.5
[M-H]- 441.35852 210.8
[M+NH4]+ 460.39962 223.4
[M+K]+ 481.32896 224.9
[M+H-H2O]+ 425.36306 214.2
[M+HCOO]- 487.36400 226.9
[M+CH3COO]- 501.37965 232.9
[M+Na-2H]- 463.34047 215.1
[M]+ 442.36525 221.4
[M]- 442.36635 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.