CID 514206

1-decanamido-2-hexyloxypropyl-3-phosphocholine

Structural Information

Molecular Formula
C24H52N2O6P
SMILES
CCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCC
InChI
InChI=1S/C24H51N2O6P/c1-6-8-10-12-13-14-15-17-24(27)25-21-23(30-19-16-11-9-7-2)22-32-33(28,29)31-20-18-26(3,4)5/h23H,6-22H2,1-5H3,(H-,25,27,28,29)/p+1
InChIKey
GDOREJRHKBNLNM-UHFFFAOYSA-O
Compound name
2-[[3-(decanoylamino)-2-hexoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

495.3563 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.36358 233.8
[M+Na]+ 518.34552 239.3
[M-H]- 494.34902 232.0
[M+NH4]+ 513.39012 237.8
[M+K]+ 534.31946 233.9
[M+H-H2O]+ 478.35356 218.8
[M+HCOO]- 540.35450 245.0
[M+CH3COO]- 554.37015 241.9
[M+Na-2H]- 516.33097 218.5
[M]+ 495.35575 228.9
[M]- 495.35685 228.9
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

No patent data available for this compound.