CID 132778

D-20133

Structural Information

Molecular Formula
C26H55NO4P
SMILES
CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+]1(CCCCC1)C
InChI
InChI=1S/C26H54NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30-32(28,29)31-26-24-27(2)22-19-18-20-23-27/h3-26H2,1-2H3/p+1
InChIKey
CUQJLYFFQBHUGW-UHFFFAOYSA-O
Compound name
2-(1-methylpiperidin-1-ium-1-yl)ethyl octadecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

76
Patents

476.38687 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.39415 230.7
[M+Na]+ 499.37609 227.8
[M-H]- 475.37959 226.3
[M+NH4]+ 494.42069 217.3
[M+K]+ 515.35003 218.1
[M+H-H2O]+ 459.38413 222.5
[M+HCOO]- 521.38507 240.5
[M+CH3COO]- 535.40072 230.4
[M+Na-2H]- 497.36154 228.5
[M]+ 476.38632 235.5
[M]- 476.38742 235.5
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