CID 13723754

2,6-pyridinedimethanamine

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1=CC(=NC(=C1)CN)CN

InChI

InChI=1S/C7H11N3/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5,8-9H2

InChIKey

SCAKSBRUOMUBFL-UHFFFAOYSA-N

Compound name

[6-(aminomethyl)pyridin-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 86
Patents: 137.09529 Da
Monoisotopic Mass: -1.4
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]+	138.10257	127.6
[M+Na]+	160.08451	135.2
[M-H]-	136.08801	129.2
[M+NH4]+	155.12911	147.2
[M+K]+	176.05845	132.8
[M+H-H2O]+	120.09255	120.9
[M+HCOO]-	182.09349	152.4
[M+CH3COO]-	196.10914	177.4
[M+Na-2H]-	158.06996	134.8
[M]+	137.09474	124.2
[M]-	137.09584	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe