CID 20192901

2-(quinolin-4-yl)ethan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1=CC=C2C(=C1)C(=CC=N2)CCN

InChI

InChI=1S/C11H12N2/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-4,6,8H,5,7,12H2

InChIKey

LNBWQLAZKFUBSU-UHFFFAOYSA-N

Compound name

2-quinolin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 172.10005 Da
Monoisotopic Mass: 1.6
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]+	173.10733	135.5
[M+Na]+	195.08927	143.7
[M-H]-	171.09277	138.2
[M+NH4]+	190.13387	155.2
[M+K]+	211.06321	139.9
[M+H-H2O]+	155.09731	128.6
[M+HCOO]-	217.09825	158.5
[M+CH3COO]-	231.11390	148.7
[M+Na-2H]-	193.07472	144.8
[M]+	172.09950	134.1
[M]-	172.10060	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe