CID 131822179

Pa(24:0/20:1(11z))

Structural Information

Molecular Formula
C47H91O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C47H91O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,45H,3-17,19,21-44H2,1-2H3,(H2,50,51,52)/b20-18-/t45-/m1/s1
InChIKey
XRIACCAFFVCZNX-XWGPWIMLSA-N
Compound name
[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

814.64514 Da
Monoisotopic Mass

18.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.65242 300.1
[M+Na]+ 837.63436 300.1
[M+NH4]+ 832.67896 303.8
[M+K]+ 853.60830 302.3
[M-H]- 813.63786 285.6
[M+Na-2H]- 835.61981 296.4
[M]+ 814.64459 297.1
[M]- 814.64569 297.1
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.