CID 452621

Et-18-o et

Structural Information

Molecular Formula
C28H61NO6P
SMILES
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OCC
InChI
InChI=1S/C28H60NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-26-28(33-7-2)27-35-36(30,31)34-25-23-29(3,4)5/h28H,6-27H2,1-5H3/p+1
InChIKey
FSHMOCOVNGAJTL-UHFFFAOYSA-O
Compound name
2-[(2-ethoxy-3-octadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

538.42365 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.43093 243.6
[M+Na]+ 561.41287 246.3
[M-H]- 537.41637 235.8
[M+NH4]+ 556.45747 246.5
[M+K]+ 577.38681 243.6
[M+H-H2O]+ 521.42091 228.6
[M+HCOO]- 583.42185 256.9
[M+CH3COO]- 597.43750 249.5
[M+Na-2H]- 559.39832 226.1
[M]+ 538.42310 241.0
[M]- 538.42420 241.0
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.