CID 2771688

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

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CC(C1=CN=CC=C1)N

InChI

InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3

InChIKey

IQVQNBXPYJGNEA-UHFFFAOYSA-N

Compound name

1-pyridin-3-ylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1541
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	124.1
[M+Na]+	145.07362	131.3
[M-H]-	121.07712	126.0
[M+NH4]+	140.11822	144.5
[M+K]+	161.04756	129.9
[M+H-H2O]+	105.08166	117.8
[M+HCOO]-	167.08260	147.5
[M+CH3COO]-	181.09825	172.9
[M+Na-2H]-	143.05907	131.6
[M]+	122.08385	121.4
[M]-	122.08495	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe