CID 161462

Adepren

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CN1CCC(=N)C2=CC=CC=C21

InChI

InChI=1S/C10H12N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-5,11H,6-7H2,1H3

InChIKey

GKGBJWPUGWCYNT-UHFFFAOYSA-N

Compound name

1-methyl-2,3-dihydroquinolin-4-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 39
Patents: 160.10005 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]+	161.10733	132.4
[M+Na]+	183.08927	140.1
[M-H]-	159.09277	135.5
[M+NH4]+	178.13387	152.9
[M+K]+	199.06321	136.8
[M+H-H2O]+	143.09731	125.8
[M+HCOO]-	205.09825	153.6
[M+CH3COO]-	219.11390	181.2
[M+Na-2H]-	181.07472	140.4
[M]+	160.09950	128.4
[M]-	160.10060	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe