CID 6410596

9h-indeno[2,1-c]pyridazine

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

C1C2=CC=CC=C2C3=C1N=NC=C3

InChI

InChI=1S/C11H8N2/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-13-11/h1-6H,7H2

InChIKey

STGMORHGPQLXMT-UHFFFAOYSA-N

Compound name

9H-indeno[2,1-c]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 515
Patents: 168.06874 Da
Monoisotopic Mass: 1.5
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]+	169.07602	133.3
[M+Na]+	191.05796	148.8
[M+NH4]+	186.10256	143.9
[M+K]+	207.03190	142.2
[M-H]-	167.06146	136.5
[M+Na-2H]-	189.04341	141.5
[M]+	168.06819	136.5
[M]-	168.06929	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe