CID 230087

114058-74-1

Structural Information

Molecular Formula

C₁₀H₉ClN₂

SMILES

CC1=CC(=NC2=C1C=CC(=C2)N)Cl

InChI

InChI=1S/C10H9ClN2/c1-6-4-10(11)13-9-5-7(12)2-3-8(6)9/h2-5H,12H2,1H3

InChIKey

YYZYZUVHSCLRKI-UHFFFAOYSA-N

Compound name

2-chloro-4-methylquinolin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 192.04543 Da
Monoisotopic Mass: 2.8
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]+	193.05271	138.0
[M+Na]+	215.03465	149.3
[M-H]-	191.03815	141.4
[M+NH4]+	210.07925	158.4
[M+K]+	231.00859	144.0
[M+H-H2O]+	175.04269	132.4
[M+HCOO]-	237.04363	156.7
[M+CH3COO]-	251.05928	151.9
[M+Na-2H]-	213.02010	145.7
[M]+	192.04488	139.1
[M]-	192.04598	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe