CID 202008

1-ethyl-2-(2-(triethylammonio)ethyl)pyridinium diiodide

Structural Information

Molecular Formula
C15H28N2
SMILES
CC[N+]1=CC=CC=C1CC[N+](CC)(CC)CC
InChI
InChI=1S/C15H28N2/c1-5-16-13-10-9-11-15(16)12-14-17(6-2,7-3)8-4/h9-11,13H,5-8,12,14H2,1-4H3/q+2
InChIKey
NDMOHQSZNDBGIX-UHFFFAOYSA-N
Compound name
triethyl-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.22525 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.23253 158.6
[M+Na]+ 259.21447 164.3
[M-H]- 235.21797 162.1
[M+NH4]+ 254.25907 175.5
[M+K]+ 275.18841 151.2
[M+H-H2O]+ 219.22251 156.9
[M+HCOO]- 281.22345 179.8
[M+CH3COO]- 295.23910 189.1
[M+Na-2H]- 257.19992 169.0
[M]+ 236.22470 159.3
[M]- 236.22580 159.3
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.