CID 3037040

N,n-dimethylnicotinium diiodide

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

C[N+]1=CC=CC(=C1)[C@@H]2CCC[N+]2(C)C

InChI

InChI=1S/C12H20N2/c1-13-8-4-6-11(10-13)12-7-5-9-14(12,2)3/h4,6,8,10,12H,5,7,9H2,1-3H3/q+2/t12-/m0/s1

InChIKey

JOEQGJUIJYDQRN-LBPRGKRZSA-N

Compound name

3-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-1-methylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.16264 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.169916	143.7
[M+Na]+	215.151858	151.5
[M-H]-	191.155364	148.3
[M+NH4]+	210.196463	163.9
[M+K]+	231.125798	138.1
[M+H-H2O]+	175.159900	141.8
[M+HCOO]-	237.160841	163.1
[M+CH3COO]-	251.176491	172.1
[M+Na-2H]-	213.137306	152.5
[M]+	192.16209142	139.2
[M]-	192.16318858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe