CID 131325

Ocdpc

Structural Information

Molecular Formula
C24H52ClNO5P
SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)Cl
InChI
InChI=1S/C24H51ClNO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(25)23-31-32(27,28)30-21-19-26(2,3)4/h24H,5-23H2,1-4H3/p+1
InChIKey
QWOGUZHVBMCFPK-UHFFFAOYSA-O
Compound name
2-[(2-chloro-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

500.32715 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.33443 231.4
[M+Na]+ 523.31637 235.8
[M-H]- 499.31987 225.2
[M+NH4]+ 518.36097 234.4
[M+K]+ 539.29031 232.0
[M+H-H2O]+ 483.32441 217.3
[M+HCOO]- 545.32535 246.5
[M+CH3COO]- 559.34100 239.5
[M+Na-2H]- 521.30182 216.3
[M]+ 500.32660 231.2
[M]- 500.32770 231.2
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.