CID 53478057

Dg(18:1(11z)/14:0/0:0)

Structural Information

Molecular Formula
C35H66O5
SMILES
CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,33,36H,3-12,14,16-32H2,1-2H3/b15-13-/t33-/m0/s1
InChIKey
SOSGKRNPXYNQLV-ZWOXTJJBSA-N
Compound name
[(2S)-3-hydroxy-2-tetradecanoyloxypropyl] (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

566.491 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.49828 253.8
[M+Na]+ 589.48022 254.7
[M+NH4]+ 584.52482 254.5
[M+K]+ 605.45416 254.2
[M-H]- 565.48372 240.0
[M+Na-2H]- 587.46567 253.2
[M]+ 566.49045 250.2
[M]- 566.49155 250.2
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.