CID 168680072

Chebi:197429

Structural Information

Molecular Formula
C39H74O4
SMILES
CCCCCCCC/C=C\CCCCCCCCOCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C39H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-36-38(40)37-43-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38,40H,3-16,21-37H2,1-2H3/b19-17-,20-18-
InChIKey
PAKUDVAYFOFFOK-CLFAGFIQSA-N
Compound name
[2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.5587 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.56598 263.8
[M+Na]+ 629.54792 264.7
[M+NH4]+ 624.59252 263.0
[M+K]+ 645.52186 264.5
[M-H]- 605.55142 247.0
[M+Na-2H]- 627.53337 261.6
[M]+ 606.55815 259.3
[M]- 606.55925 259.3
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.