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

77
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

literature stripe

Patent stripe

patents stripe