CID 52923008

Pc(19:1(9z)/17:0)

Structural Information

Molecular Formula
C44H87NO8P
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h22-23,42H,6-21,24-41H2,1-5H3/p+1/b23-22-/t42-/m1/s1
InChIKey
PSRZTOWQISYSQH-RSSWDJSTSA-O
Compound name
2-[[(2R)-2-heptadecanoyloxy-3-[(Z)-nonadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

788.61694 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 789.62422 293.6
[M+Na]+ 811.60616 295.0
[M-H]- 787.60966 286.6
[M+NH4]+ 806.65076 301.8
[M+K]+ 827.58010 298.5
[M+H-H2O]+ 771.61420 278.5
[M+HCOO]- 833.61514 298.0
[M+CH3COO]- 847.63079 292.8
[M+Na-2H]- 809.59161 271.6
[M]+ 788.61639 292.1
[M]- 788.61749 292.1
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.