CID 73416319

Chebi:176754

Structural Information

Molecular Formula
C21H40O5
SMILES
CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
InChI
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-13-15-20(23)25-18-19(17-22)26-21(24)16-14-11-8-6-4-2/h19,22H,3-18H2,1-2H3/t19-/m0/s1
InChIKey
XDYVDYBOLARYBO-IBGZPJMESA-N
Compound name
[(2S)-3-hydroxy-2-octanoyloxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

372.28757 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.29485 197.3
[M+Na]+ 395.27679 201.9
[M+NH4]+ 390.32139 209.1
[M+K]+ 411.25073 196.7
[M-H]- 371.28029 192.9
[M+Na-2H]- 393.26224 194.4
[M]+ 372.28702 196.1
[M]- 372.28812 196.1
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.