CID 202014

2-(beta-piperidinoethyl)pyridine dimethiodide

Structural Information

Molecular Formula
C14H24N2
SMILES
C[N+]1=CC=CC=C1CC[N+]2(CCCCC2)C
InChI
InChI=1S/C14H24N2/c1-15-10-5-4-8-14(15)9-13-16(2)11-6-3-7-12-16/h4-5,8,10H,3,6-7,9,11-13H2,1-2H3/q+2
InChIKey
LIADYHIPZJNILF-UHFFFAOYSA-N
Compound name
1-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.19395 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 154.6
[M+Na]+ 243.18317 159.5
[M-H]- 219.18667 158.0
[M+NH4]+ 238.22777 171.4
[M+K]+ 259.15711 145.6
[M+H-H2O]+ 203.19121 151.4
[M+HCOO]- 265.19215 171.0
[M+CH3COO]- 279.20780 177.4
[M+Na-2H]- 241.16862 164.1
[M]+ 220.19340 148.2
[M]- 220.19450 148.2
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.