CID 100609

69581-16-4

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1C2=CC=CC=C2C3=NNC(=O)C=C31

InChI

InChI=1S/C11H8N2O/c14-10-6-8-5-7-3-1-2-4-9(7)11(8)13-12-10/h1-4,6H,5H2,(H,12,14)

InChIKey

HKIUVNSTQVQDJT-UHFFFAOYSA-N

Compound name

2,5-dihydroindeno[1,2-c]pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16
Patents: 184.06366 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]+	185.07094	136.7
[M+Na]+	207.05288	151.6
[M+NH4]+	202.09748	146.1
[M+K]+	223.02682	145.9
[M-H]-	183.05638	138.7
[M+Na-2H]-	205.03833	143.5
[M]+	184.06311	139.4
[M]-	184.06421	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe