CID 134639

2-(2-(dimethylethylammonio)ethyl)-1-ethylpyridinium diiodide

Structural Information

Molecular Formula
C13H24N2
SMILES
CC[N+]1=CC=CC=C1CC[N+](C)(C)CC
InChI
InChI=1S/C13H24N2/c1-5-14-11-8-7-9-13(14)10-12-15(3,4)6-2/h7-9,11H,5-6,10,12H2,1-4H3/q+2
InChIKey
DJXBIIBXRHDLQU-UHFFFAOYSA-N
Compound name
ethyl-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.19395 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.20123 147.4
[M+Na]+ 231.18317 164.0
[M+NH4]+ 226.22777 158.4
[M+K]+ 247.15711 157.6
[M-H]- 207.18667 153.8
[M+Na-2H]- 229.16862 157.0
[M]+ 208.19340 152.6
[M]- 208.19450 152.6
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.