CID 52929096

Pa(19:1(9z)/21:0)

Structural Information

Molecular Formula
C43H83O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C43H83O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,41H,3-19,21-22,24-40H2,1-2H3,(H2,46,47,48)/b23-20-/t41-/m1/s1
InChIKey
FUSKNLCNDJLUIG-AUGFQVQNSA-N
Compound name
[(2R)-1-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.5826 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.58988 285.6
[M+Na]+ 781.57182 286.0
[M-H]- 757.57532 273.1
[M+NH4]+ 776.61642 289.7
[M+K]+ 797.54576 290.2
[M+H-H2O]+ 741.57986 275.5
[M+HCOO]- 803.58080 285.4
[M+CH3COO]- 817.59645 288.0
[M+Na-2H]- 779.55727 262.8
[M]+ 758.58205 284.3
[M]- 758.58315 284.3
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.