CID 236796

2-(2-anilinoethyl)pyridine

Structural Information

Molecular Formula
C13H14N2
SMILES
C1=CC=C(C=C1)NCCC2=CC=CC=N2
InChI
InChI=1S/C13H14N2/c1-2-6-12(7-3-1)15-11-9-13-8-4-5-10-14-13/h1-8,10,15H,9,11H2
InChIKey
OVEIBLKKCHUOFY-UHFFFAOYSA-N
Compound name
N-(2-pyridin-2-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

28
Patents

198.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 142.9
[M+Na]+ 221.104908 149.2
[M-H]- 197.108414 147.8
[M+NH4]+ 216.149513 160.1
[M+K]+ 237.078848 145.1
[M+H-H2O]+ 181.112950 134.5
[M+HCOO]- 243.113891 167.4
[M+CH3COO]- 257.129541 155.4
[M+Na-2H]- 219.090356 152.2
[M]+ 198.11514142 141.4
[M]- 198.11623858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe