CID 4210012

Cinnolin-3-amine

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC=C2C(=C1)C=C(N=N2)N

InChI

InChI=1S/C8H7N3/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H,(H2,9,11)

InChIKey

DKJAESIQEOLWNK-UHFFFAOYSA-N

Compound name

cinnolin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 284
Patents: 145.064 Da
Monoisotopic Mass: 1.0
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]+	146.07128	126.7
[M+Na]+	168.05322	141.3
[M+NH4]+	163.09782	136.1
[M+K]+	184.02716	134.2
[M-H]-	144.05672	129.8
[M+Na-2H]-	166.03867	135.5
[M]+	145.06345	129.6
[M]-	145.06455	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe