CID 53478603

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

Structural Information

Molecular Formula
C39H73O8P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)O
InChI
InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37H,3-12,14,16-17,19,21-36H2,1-2H3,(H2,42,43,44)/b15-13-,20-18-/t37-/m1/s1
InChIKey
IIMFLKINUHKKSA-SLLMOJSDSA-N
Compound name
[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

700.50433 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 701.51161 271.9
[M+Na]+ 723.49355 273.1
[M+NH4]+ 718.53815 275.8
[M+K]+ 739.46749 273.7
[M-H]- 699.49705 260.8
[M+Na-2H]- 721.47900 271.2
[M]+ 700.50378 269.8
[M]- 700.50488 269.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.