CID 84415

14408-19-6

Structural Information

Molecular Formula
C15H19N2
SMILES
CCN(CC[N+]1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H19N2/c1-2-17(15-9-5-3-6-10-15)14-13-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3/q+1
InChIKey
BLFRKYDCARSEKI-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

227.15483 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.16211 154.9
[M+Na]+ 250.14405 160.1
[M-H]- 226.14755 161.1
[M+NH4]+ 245.18865 171.2
[M+K]+ 266.11799 151.7
[M+H-H2O]+ 210.15209 148.6
[M+HCOO]- 272.15303 178.8
[M+CH3COO]- 286.16868 189.6
[M+Na-2H]- 248.12950 164.2
[M]+ 227.15428 154.1
[M]- 227.15538 154.1
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

patents stripe