CID 53477979

Dg(14:1(9z)/18:1(9z)/0:0)

Structural Information

Molecular Formula
C35H64O5
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h10,12,16-17,33,36H,3-9,11,13-15,18-32H2,1-2H3/b12-10-,17-16-/t33-/m0/s1
InChIKey
HJBMLXDFAMFHQW-QGYSHCINSA-N
Compound name
[(2S)-1-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

564.4754 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.48268 251.4
[M+Na]+ 587.46462 252.8
[M+NH4]+ 582.50922 252.0
[M+K]+ 603.43856 252.2
[M-H]- 563.46812 238.4
[M+Na-2H]- 585.45007 251.2
[M]+ 564.47485 248.1
[M]- 564.47595 248.1
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.