CID 131822244

Pa(20:3(8z,11z,14z)/18:1(11z))

Structural Information

Molecular Formula
C41H73O8P
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChI
InChI=1S/C41H73O8P/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/h11,13-14,16-17,19,22-23,39H,3-10,12,15,18,20-21,24-38H2,1-2H3,(H2,44,45,46)/b13-11-,16-14-,19-17-,23-22-/t39-/m1/s1
InChIKey
WPYUGCAPZBPTKK-VOLPPFTKSA-N
Compound name
[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

724.50433 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.51161 273.1
[M+Na]+ 747.49355 275.6
[M-H]- 723.49705 263.8
[M+NH4]+ 742.53815 278.1
[M+K]+ 763.46749 277.6
[M+H-H2O]+ 707.50159 263.3
[M+HCOO]- 769.50253 276.2
[M+CH3COO]- 783.51818 279.1
[M+Na-2H]- 745.47900 252.6
[M]+ 724.50378 270.9
[M]- 724.50488 270.9
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.