CID 311869

Isoquinolin-3-amine

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1=CC=C2C=NC(=CC2=C1)N

InChI

InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)

InChIKey

VYCKDIRCVDCQAE-UHFFFAOYSA-N

Compound name

isoquinolin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1187
Patents: 144.06874 Da
Monoisotopic Mass: 1.8
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]+	145.07602	126.7
[M+Na]+	167.05796	141.4
[M+NH4]+	162.10256	136.9
[M+K]+	183.03190	133.7
[M-H]-	143.06146	130.6
[M+Na-2H]-	165.04341	135.7
[M]+	144.06819	130.0
[M]-	144.06929	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe