CID 9546708

Pc(o-15:0/0:0)

Structural Information

Molecular Formula
C23H51NO6P
SMILES
CCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C23H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24(2,3)4/h23,25H,5-22H2,1-4H3/p+1/t23-/m1/s1
InChIKey
PPXKEQMZYFQYCJ-HSZRJFAPSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-pentadecoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

468.3454 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.35268 224.0
[M+Na]+ 491.33462 226.7
[M-H]- 467.33812 217.7
[M+NH4]+ 486.37922 224.8
[M+K]+ 507.30856 221.9
[M+H-H2O]+ 451.34266 208.4
[M+HCOO]- 513.34360 237.6
[M+CH3COO]- 527.35925 232.5
[M+Na-2H]- 489.32007 208.1
[M]+ 468.34485 220.4
[M]- 468.34595 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

patents stripe