CID 73742

Isoquinolin-1-amine

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1=CC=C2C(=C1)C=CN=C2N

InChI

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

InChIKey

OSILBMSORKFRTB-UHFFFAOYSA-N

Compound name

isoquinolin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 38
References: 2830
Patents: 144.06874 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]+	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