CID 56936354

Dg(14:1(9z)/17:2(9z,12z)/0:0)[iso2]

Structural Information

Molecular Formula
C34H60O5
SMILES
CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C34H60O5/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-18-14-12-10-8-6-4-2/h9-12,15-16,32,35H,3-8,13-14,17-31H2,1-2H3/b11-9-,12-10-,16-15-/t32-/m0/s1
InChIKey
YQRBJQMOQRXTHR-CGVDGURLSA-N
Compound name
[(2S)-1-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.4441 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.45138 243.0
[M+Na]+ 571.43332 249.7
[M-H]- 547.43682 232.1
[M+NH4]+ 566.47792 246.0
[M+K]+ 587.40726 249.1
[M+H-H2O]+ 531.44136 243.6
[M+HCOO]- 593.44230 248.2
[M+CH3COO]- 607.45795 251.7
[M+Na-2H]- 569.41877 229.0
[M]+ 548.44355 242.1
[M]- 548.44465 242.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.