CID 118901

5-amino-6-nitroquinoline

Structural Information

Molecular Formula

C₉H₇N₃O₂

SMILES

C1=CC2=C(C=CC(=C2N)[N+](=O)[O-])N=C1

InChI

InChI=1S/C9H7N3O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H,10H2

InChIKey

TYBYHEXFKFLRFT-UHFFFAOYSA-N

Compound name

6-nitroquinolin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 189.05383 Da
Monoisotopic Mass: 1.9
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]+	190.06111	134.2
[M+Na]+	212.04305	148.7
[M+NH4]+	207.08765	143.1
[M+K]+	228.01699	144.9
[M-H]-	188.04655	138.6
[M+Na-2H]-	210.02850	141.8
[M]+	189.05328	137.4
[M]-	189.05438	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe