CID 15219619

153856-89-4

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

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

InChI

InChI=1S/C9H12N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5,10H2

InChIKey

MAPBYCTYIMFIBU-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydroquinolin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
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]+	149.107326	129.7
[M+Na]+	171.089268	136.3
[M-H]-	147.092774	130.7
[M+NH4]+	166.133873	149.5
[M+K]+	187.063208	132.5
[M+H-H2O]+	131.097310	123.5
[M+HCOO]-	193.098251	149.0
[M+CH3COO]-	207.113901	142.0
[M+Na-2H]-	169.074716	137.5
[M]+	148.09950142	122.9
[M]-	148.10059858	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe