CID 131801672

Pc(p-18:1(11z)/p-18:0)

Structural Information

Molecular Formula
C44H87NO6P
SMILES
CCCCCCCCCCCCCCCC/C=C\O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C44H86NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,36-37,39-40,44H,6-15,17,19-35,38,41-43H2,1-5H3/p+1/b18-16-,39-36-,40-37-/t44-/m1/s1
InChIKey
QZOQBILZVZLLKA-VXUWBODBSA-O
Compound name
2-[hydroxy-[(2R)-3-[(1Z,11Z)-octadeca-1,11-dienoxy]-2-[(Z)-octadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

756.6271 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.63438 290.1
[M+Na]+ 779.61632 291.6
[M+NH4]+ 774.66092 260.5
[M+K]+ 795.59026 296.4
[M-H]- 755.61982 283.4
[M+Na-2H]- 777.60177 276.9
[M]+ 756.62655 289.3
[M]- 756.62765 289.3
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.