CID 5313995

108273-88-7

Structural Information

Molecular Formula
C27H57NO7P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C27H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28(2,3)4/h26,29H,5-25H2,1-4H3/p+1/t26-/m1/s1
InChIKey
WYIMORDZGCUBAA-AREMUKBSSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-nonadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11
Patents

538.38727 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.39455 237.2
[M+Na]+ 561.37649 239.6
[M-H]- 537.37999 232.4
[M+NH4]+ 556.42109 240.5
[M+K]+ 577.35043 236.5
[M+H-H2O]+ 521.38453 221.9
[M+HCOO]- 583.38547 247.6
[M+CH3COO]- 597.40112 244.8
[M+Na-2H]- 559.36194 220.3
[M]+ 538.38672 233.6
[M]- 538.38782 233.6
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