CID 12792703

Isoquinoline-5,8-diamine hydrochloride

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CC(=C2C=NC=CC2=C1N)N

InChI

InChI=1S/C9H9N3/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H,10-11H2

InChIKey

UEYXZMIZYXYAJN-UHFFFAOYSA-N

Compound name

isoquinoline-5,8-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 159.07965 Da
Monoisotopic Mass: 0.7
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]+	160.08693	130.5
[M+Na]+	182.06887	143.9
[M+NH4]+	177.11347	139.9
[M+K]+	198.04281	137.2
[M-H]-	158.07237	134.5
[M+Na-2H]-	180.05432	138.4
[M]+	159.07910	133.5
[M]-	159.08020	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe