CID 12412857

8-hydrazinylisoquinoline trihydrochloride

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CC2=C(C=NC=C2)C(=C1)NN

InChI

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

InChIKey

KHDLLBBVACGDDG-UHFFFAOYSA-N

Compound name

isoquinolin-8-ylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 159.07965 Da
Monoisotopic Mass: 1.3
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	129.2
[M+Na]+	182.06887	137.5
[M-H]-	158.07237	132.3
[M+NH4]+	177.11347	149.1
[M+K]+	198.04281	134.1
[M+H-H2O]+	142.07691	122.3
[M+HCOO]-	204.07785	154.0
[M+CH3COO]-	218.09350	142.8
[M+Na-2H]-	180.05432	140.1
[M]+	159.07910	126.5
[M]-	159.08020	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe