CID 122164833

Lpc(0:0/16:1)

Structural Information

Molecular Formula
C24H49NO7P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/p+1/b11-10-/t23-/m1/s1
InChIKey
OEJYWQCXHNOOHC-ZXEGGCGDSA-O
Compound name
2-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

494.32468 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.33196 223.9
[M+Na]+ 517.31390 227.6
[M-H]- 493.31740 221.1
[M+NH4]+ 512.35850 227.8
[M+K]+ 533.28784 222.8
[M+H-H2O]+ 477.32194 209.1
[M+HCOO]- 539.32288 236.4
[M+CH3COO]- 553.33853 234.6
[M+Na-2H]- 515.29935 209.0
[M]+ 494.32413 220.4
[M]- 494.32523 220.4
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.