CID 9546700

87907-66-2

Structural Information

Molecular Formula
C26H55NO6P
SMILES
CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,26,28H,5-11,14-25H2,1-4H3/p+1/b13-12-/t26-/m1/s1
InChIKey
XWYSLMAMRKYUFH-HTOVTZSWSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

508.3767 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.38398 233.4
[M+Na]+ 531.36592 237.5
[M+NH4]+ 526.41052 203.7
[M+K]+ 547.33986 243.4
[M-H]- 507.36942 227.8
[M+Na-2H]- 529.35137 225.7
[M]+ 508.37615 233.9
[M]- 508.37725 233.9
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

patents stripe