CID 238339

N-[1-(pyridin-2-yl)ethyl]aniline

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

CC(C1=CC=CC=N1)NC2=CC=CC=C2

InChI

InChI=1S/C13H14N2/c1-11(13-9-5-6-10-14-13)15-12-7-3-2-4-8-12/h2-11,15H,1H3

InChIKey

OTQPFEBBTYKNCP-UHFFFAOYSA-N

Compound name

N-(1-pyridin-2-ylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 198.11569 Da
Monoisotopic Mass: 2.8
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]+	199.12297	145.0
[M+Na]+	221.10491	159.3
[M+NH4]+	216.14951	154.4
[M+K]+	237.07885	151.2
[M-H]-	197.10841	150.3
[M+Na-2H]-	219.09036	155.9
[M]+	198.11514	148.6
[M]-	198.11624	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe