CID 854051

2-(pyridin-3-yl)ethan-1-amine

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

C1=CC(=CN=C1)CCN

InChI

InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2

InChIKey

NAHHNSMHYCLMON-UHFFFAOYSA-N

Compound name

2-pyridin-3-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4358
Patents: 122.0844 Da
Monoisotopic Mass: -0.1
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]+	123.09168	123.4
[M+Na]+	145.07362	130.9
[M-H]-	121.07712	125.2
[M+NH4]+	140.11822	143.9
[M+K]+	161.04756	129.0
[M+H-H2O]+	105.08166	117.0
[M+HCOO]-	167.08260	147.8
[M+CH3COO]-	181.09825	172.0
[M+Na-2H]-	143.05907	132.2
[M]+	122.08385	121.4
[M]-	122.08495	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe