CID 81222316

2-(quinolin-8-yl)propan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CC(CN)C1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C12H14N2/c1-9(8-13)11-6-2-4-10-5-3-7-14-12(10)11/h2-7,9H,8,13H2,1H3

InChIKey

CLVJFVRNPUQOAB-UHFFFAOYSA-N

Compound name

2-quinolin-8-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.11569 Da
Monoisotopic Mass: 1.9
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]+	187.12297	140.8
[M+Na]+	209.10491	148.3
[M-H]-	185.10841	143.4
[M+NH4]+	204.14951	159.9
[M+K]+	225.07885	144.7
[M+H-H2O]+	169.11295	133.7
[M+HCOO]-	231.11389	162.4
[M+CH3COO]-	245.12954	186.5
[M+Na-2H]-	207.09036	148.2
[M]+	186.11514	139.1
[M]-	186.11624	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe