CID 52922433

Pc(16:1(9z)/14:0)

Structural Information

Molecular Formula
C38H75NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h16,18,36H,6-15,17,19-35H2,1-5H3/p+1/b18-16-/t36-/m1/s1
InChIKey
RHCWZMAZVBVICJ-IZNHTBNISA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

704.523 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.53028 273.6
[M+Na]+ 727.51222 276.6
[M+NH4]+ 722.55682 249.9
[M+K]+ 743.48616 282.0
[M-H]- 703.51572 268.1
[M+Na-2H]- 725.49767 262.6
[M]+ 704.52245 273.9
[M]- 704.52355 273.9
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.