CID 52922187

Pc(13:0/19:1(9z))

Structural Information

Molecular Formula
C40H79NO8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-17-15-13-11-9-7-2/h20-21,38H,6-19,22-37H2,1-5H3/p+1/b21-20-/t38-/m1/s1
InChIKey
CDQKDVHMZZWJNV-XVKMAEEJSA-O
Compound name
2-[hydroxy-[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-tridecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

732.5543 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.56158 280.7
[M+Na]+ 755.54352 282.8
[M-H]- 731.54702 275.2
[M+NH4]+ 750.58812 289.0
[M+K]+ 771.51746 284.7
[M+H-H2O]+ 715.55156 266.0
[M+HCOO]- 777.55250 286.6
[M+CH3COO]- 791.56815 282.2
[M+Na-2H]- 753.52897 260.3
[M]+ 732.55375 278.9
[M]- 732.55485 278.9
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.