CID 104672

54012-92-9

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC2=C(C(=CC=C2)N)NC1

InChI

InChI=1S/C9H12N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6,10H2

InChIKey

LILSBXJJIIFDGR-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydroquinolin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 210
Patents: 148.10005 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]+	149.10733	129.7
[M+Na]+	171.08927	136.3
[M-H]-	147.09277	130.7
[M+NH4]+	166.13387	149.5
[M+K]+	187.06321	132.5
[M+H-H2O]+	131.09731	123.5
[M+HCOO]-	193.09825	149.0
[M+CH3COO]-	207.11390	142.0
[M+Na-2H]-	169.07472	137.5
[M]+	148.09950	122.9
[M]-	148.10060	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe