CID 131801678

Pc(p-18:1(9z)/p-16:0)

Structural Information

Molecular Formula
C42H83NO6P
SMILES
CCCCCCCCCCCCCC/C=C\O[C@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C42H82NO6P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-37-46-40-42(41-49-50(44,45)48-39-36-43(3,4)5)47-38-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h20,22,34-35,37-38,42H,6-19,21,23-33,36,39-41H2,1-5H3/p+1/b22-20-,37-34-,38-35-/t42-/m1/s1
InChIKey
DKCXAWVKSPBFRB-BCZCSWKFSA-O
Compound name
2-[[(2R)-2-[(Z)-hexadec-1-enoxy]-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

728.5958 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.60308 283.9
[M+Na]+ 751.58502 285.8
[M+NH4]+ 746.62962 254.1
[M+K]+ 767.55896 290.7
[M-H]- 727.58852 277.3
[M+Na-2H]- 749.57047 271.3
[M]+ 728.59525 283.3
[M]- 728.59635 283.3
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.