CID 131799295

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

Structural Information

Molecular Formula
C26H50O5
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC)O
InChI
InChI=1S/C26H50O5/c1-3-5-7-9-11-12-13-15-17-19-21-26(29)31-23-24(27)22-30-25(28)20-18-16-14-10-8-6-4-2/h24,27H,3-23H2,1-2H3/t24-/m0/s1
InChIKey
DXTZZJUXDAQHER-DEOSSOPVSA-N
Compound name
[(2S)-3-decanoyloxy-2-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 225.4
[M+Na]+ 465.35502 226.6
[M+NH4]+ 460.39962 226.4
[M+K]+ 481.32896 224.6
[M-H]- 441.35852 213.9
[M+Na-2H]- 463.34047 214.3
[M]+ 442.36525 222.2
[M]- 442.36635 222.2
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.