CID 201817

1-methyl-1-(2-(2-pyridyl)ethyl)piperidinium iodide

Structural Information

Molecular Formula
C13H21N2
SMILES
C[N+]1(CCCCC1)CCC2=CC=CC=N2
InChI
InChI=1S/C13H21N2/c1-15(10-5-2-6-11-15)12-8-13-7-3-4-9-14-13/h3-4,7,9H,2,5-6,8,10-12H2,1H3/q+1
InChIKey
SQEMHZGPNJAKPV-UHFFFAOYSA-N
Compound name
2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.17047 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.17775 148.5
[M+Na]+ 228.15969 153.1
[M-H]- 204.16319 151.5
[M+NH4]+ 223.20429 166.1
[M+K]+ 244.13363 144.6
[M+H-H2O]+ 188.16773 142.5
[M+HCOO]- 250.16867 165.8
[M+CH3COO]- 264.18432 178.7
[M+Na-2H]- 226.14514 157.2
[M]+ 205.16992 142.5
[M]- 205.17102 142.5
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

No patent data available for this compound.