CID 52928928

Pa(18:1(9z)/22:1(11z))

Structural Information

Molecular Formula
C43H81O8P
SMILES
CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C43H81O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,20-21,23,41H,3-17,19,22,24-40H2,1-2H3,(H2,46,47,48)/b21-20-,23-18-/t41-/m1/s1
InChIKey
PGFPMVAYIYVVNY-XKYLCDAFSA-N
Compound name
[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-docos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

756.5669 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.57418 283.5
[M+Na]+ 779.55612 284.4
[M-H]- 755.55962 271.7
[M+NH4]+ 774.60072 287.8
[M+K]+ 795.53006 288.2
[M+H-H2O]+ 739.56416 273.4
[M+HCOO]- 801.56510 284.1
[M+CH3COO]- 815.58075 286.8
[M+Na-2H]- 777.54157 261.2
[M]+ 756.56635 281.9
[M]- 756.56745 281.9
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.