CID 52929330

Pa(22:1(11z)/18:2(9z,12z))

Structural Information

Molecular Formula
C43H79O8P
SMILES
CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H79O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,23,41H,3-11,13,15-17,19,22,24-40H2,1-2H3,(H2,46,47,48)/b14-12-,21-20-,23-18-/t41-/m1/s1
InChIKey
VFDHSMFKVJBWTC-DMAUDVAASA-N
Compound name
[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] (Z)-docos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

754.5513 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.55858 281.4
[M+Na]+ 777.54052 283.0
[M-H]- 753.54402 270.5
[M+NH4]+ 772.58512 286.1
[M+K]+ 793.51446 286.3
[M+H-H2O]+ 737.54856 271.4
[M+HCOO]- 799.54950 282.9
[M+CH3COO]- 813.56515 285.6
[M+Na-2H]- 775.52597 259.7
[M]+ 754.55075 279.7
[M]- 754.55185 279.7
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.