CID 430078

56501-32-7

Structural Information

Molecular Formula
C22H46N
SMILES
CCCCCCCCCCCCCCC[N+]1(CCCCC1)CC
InChI
InChI=1S/C22H46N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-23(4-2)21-18-16-19-22-23/h3-22H2,1-2H3/q+1
InChIKey
CFBURTVNQIZLMP-UHFFFAOYSA-N
Compound name
1-ethyl-1-pentadecylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.36304 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.37032 190.5
[M+Na]+ 347.35226 190.1
[M-H]- 323.35576 189.5
[M+NH4]+ 342.39686 205.1
[M+K]+ 363.32620 180.3
[M+H-H2O]+ 307.36030 185.1
[M+HCOO]- 369.36124 204.6
[M+CH3COO]- 383.37689 207.6
[M+Na-2H]- 345.33771 192.0
[M]+ 324.36249 189.9
[M]- 324.36359 189.9
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.