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]+ 221.201226 154.6
[M+Na]+ 243.183168 159.5
[M-H]- 219.186674 158.0
[M+NH4]+ 238.227773 171.4
[M+K]+ 259.157108 145.6
[M+H-H2O]+ 203.191210 151.4
[M+HCOO]- 265.192151 171.0
[M+CH3COO]- 279.207801 177.4
[M+Na-2H]- 241.168616 164.1
[M]+ 220.19340142 148.2
[M]- 220.19449858 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.