CID 446876

Lpc-ether

Structural Information

Molecular Formula
C26H57NO6P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C26H56NO6P/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/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1
InChIKey
XKBJVQHMEXMFDZ-AREMUKBSSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-octadecoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

107
Patents

510.39236 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.39964 234.9
[M+Na]+ 533.38158 236.9
[M-H]- 509.38508 227.5
[M+NH4]+ 528.42618 235.6
[M+K]+ 549.35552 233.4
[M+H-H2O]+ 493.38962 218.9
[M+HCOO]- 555.39056 247.3
[M+CH3COO]- 569.40621 241.2
[M+Na-2H]- 531.36703 217.6
[M]+ 510.39181 231.1
[M]- 510.39291 231.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe