CID 247998

1-(pyridin-4-yl)ethan-1-amine

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CC(C1=CC=NC=C1)N

InChI

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

InChIKey

HIZMJYQEHFJWQY-UHFFFAOYSA-N

Compound name

1-pyridin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1646
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]+	123.091676	124.1
[M+Na]+	145.073618	131.3
[M-H]-	121.077124	126.0
[M+NH4]+	140.118223	144.5
[M+K]+	161.047558	129.9
[M+H-H2O]+	105.081660	117.8
[M+HCOO]-	167.082601	147.5
[M+CH3COO]-	181.098251	172.9
[M+Na-2H]-	143.059066	131.6
[M]+	122.08385142	121.4
[M]-	122.08494858	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe