CID 6423314

1-amino-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC2=CC=CC=C2N(C1)N

InChI

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

InChIKey

OQMROOTVLOXIJH-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-quinolin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 431
Patents: 148.10005 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]+	149.10733	129.4
[M+Na]+	171.08927	136.3
[M-H]-	147.09277	131.7
[M+NH4]+	166.13387	149.9
[M+K]+	187.06321	133.5
[M+H-H2O]+	131.09731	122.7
[M+HCOO]-	193.09825	150.1
[M+CH3COO]-	207.11390	142.3
[M+Na-2H]-	169.07472	137.6
[M]+	148.09950	124.4
[M]-	148.10060	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe