CID 12288784

1-(pyridin-2-yl)-1-(pyridin-3-yl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

C1=CC=NC(=C1)C(C2=CN=CC=C2)N

InChI

InChI=1S/C11H11N3/c12-11(9-4-3-6-13-8-9)10-5-1-2-7-14-10/h1-8,11H,12H2

InChIKey

KBNVPYXMRGBMBD-UHFFFAOYSA-N

Compound name

pyridin-2-yl(pyridin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 185.09529 Da
Monoisotopic Mass: 0.4
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]+	186.10257	139.4
[M+Na]+	208.08451	146.3
[M-H]-	184.08801	142.8
[M+NH4]+	203.12911	155.4
[M+K]+	224.05845	142.6
[M+H-H2O]+	168.09255	130.6
[M+HCOO]-	230.09349	161.6
[M+CH3COO]-	244.10914	151.6
[M+Na-2H]-	206.06996	147.7
[M]+	185.09474	136.1
[M]-	185.09584	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe