CID 52929541

Pa(20:0/18:1(9z))

Structural Information

Molecular Formula
C41H79O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C41H79O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,39H,3-17,19-20,22-38H2,1-2H3,(H2,44,45,46)/b21-18-/t39-/m1/s1
InChIKey
CHEVROLFHYXCIJ-PIIKPTFNSA-N
Compound name
[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

730.5513 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.55858 280.7
[M+Na]+ 753.54052 281.2
[M+NH4]+ 748.58512 284.5
[M+K]+ 769.51446 282.3
[M-H]- 729.54402 268.1
[M+Na-2H]- 751.52597 278.8
[M]+ 730.55075 278.1
[M]- 730.55185 278.1
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.