CID 131799360

Dg(13:0/0:0/12:0)

Structural Information

Molecular Formula
C28H54O5
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C28H54O5/c1-3-5-7-9-11-13-15-17-19-21-23-28(31)33-25-26(29)24-32-27(30)22-20-18-16-14-12-10-8-6-4-2/h26,29H,3-25H2,1-2H3/t26-/m0/s1
InChIKey
IMMUOGNMOKPVCW-SANMLTNESA-N
Compound name
[(2S)-3-dodecanoyloxy-2-hydroxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.39713 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.40441 228.5
[M+Na]+ 493.38635 234.4
[M-H]- 469.38985 217.3
[M+NH4]+ 488.43095 230.6
[M+K]+ 509.36029 232.7
[M+H-H2O]+ 453.39439 229.5
[M+HCOO]- 515.39533 233.4
[M+CH3COO]- 529.41098 238.7
[M+Na-2H]- 491.37180 215.5
[M]+ 470.39658 228.5
[M]- 470.39768 228.5
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.