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 284.1
[M+Na]+ 751.58502 285.8
[M-H]- 727.58852 273.4
[M+NH4]+ 746.62962 287.6
[M+K]+ 767.55896 287.7
[M+H-H2O]+ 711.59306 267.6
[M+HCOO]- 773.59400 294.4
[M+CH3COO]- 787.60965 283.7
[M+Na-2H]- 749.57047 262.2
[M]+ 728.59525 280.8
[M]- 728.59635 280.8
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.