CID 61025615

1-[4-(pyridin-3-yl)phenyl]ethan-1-amine

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

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

InChI

InChI=1S/C13H14N2/c1-10(14)11-4-6-12(7-5-11)13-3-2-8-15-9-13/h2-10H,14H2,1H3

InChIKey

OGGKRFGMVHUZQV-UHFFFAOYSA-N

Compound name

1-(4-pyridin-3-ylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 198.11569 Da
Monoisotopic Mass: 1.7
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]+	199.122966	144.2
[M+Na]+	221.104908	151.2
[M-H]-	197.108414	149.2
[M+NH4]+	216.149513	161.4
[M+K]+	237.078848	147.3
[M+H-H2O]+	181.112950	136.3
[M+HCOO]-	243.113891	167.1
[M+CH3COO]-	257.129541	187.8
[M+Na-2H]-	219.090356	150.5
[M]+	198.11514142	141.6
[M]-	198.11623858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe