CID 16227652

2-(quinolin-8-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1=CC2=C(C(=C1)CCN)N=CC=C2

InChI

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

InChIKey

AWLDVDHLEXTALM-UHFFFAOYSA-N

Compound name

2-quinolin-8-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 172.10005 Da
Monoisotopic Mass: 1.5
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	135.9
[M+Na]+	195.08927	150.2
[M+NH4]+	190.13387	145.7
[M+K]+	211.06321	142.1
[M-H]-	171.09277	139.8
[M+Na-2H]-	193.07472	144.4
[M]+	172.09950	139.1
[M]-	172.10060	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe