CID 131799273

Dg(20:0/0:0/8:0)

Structural Information

Molecular Formula
C31H60O5
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)O
InChI
InChI=1S/C31H60O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-31(34)36-28-29(32)27-35-30(33)25-23-21-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1
InChIKey
LZECJHXDLUTBKK-LJAQVGFWSA-N
Compound name
[(2S)-2-hydroxy-3-octanoyloxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.4441 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.45138 242.6
[M+Na]+ 535.43332 243.5
[M+NH4]+ 530.47792 243.5
[M+K]+ 551.40726 242.3
[M-H]- 511.43682 229.5
[M+Na-2H]- 533.41877 242.9
[M]+ 512.44355 239.1
[M]- 512.44465 239.1
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.