CID 87019

4,4'-trimethylenedipyridine

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

C1=CN=CC=C1CCCC2=CC=NC=C2

InChI

InChI=1S/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2

InChIKey

OGNCVVRIKNGJHQ-UHFFFAOYSA-N

Compound name

4-(3-pyridin-4-ylpropyl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 81
References: 4137
Patents: 198.11569 Da
Monoisotopic Mass: 2.5
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	144.0
[M+Na]+	221.10491	151.1
[M-H]-	197.10841	147.4
[M+NH4]+	216.14951	160.1
[M+K]+	237.07885	147.0
[M+H-H2O]+	181.11295	134.9
[M+HCOO]-	243.11389	166.0
[M+CH3COO]-	257.12954	156.2
[M+Na-2H]-	219.09036	152.9
[M]+	198.11514	143.6
[M]-	198.11624	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe