CID 11344455

6-(3-aminophenyl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

C1=CC(=CC(=C1)N)C2=NNC(=O)C=C2

InChI

InChI=1S/C10H9N3O/c11-8-3-1-2-7(6-8)9-4-5-10(14)13-12-9/h1-6H,11H2,(H,13,14)

InChIKey

UEEQRBYTUCRSIL-UHFFFAOYSA-N

Compound name

3-(3-aminophenyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 187.07455 Da
Monoisotopic Mass: 0.6
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]+	188.081826	138.5
[M+Na]+	210.063768	147.8
[M-H]-	186.067274	141.4
[M+NH4]+	205.108373	154.3
[M+K]+	226.037708	142.9
[M+H-H2O]+	170.071810	130.4
[M+HCOO]-	232.072751	160.9
[M+CH3COO]-	246.088401	151.1
[M+Na-2H]-	208.049216	146.3
[M]+	187.07400142	135.1
[M]-	187.07509858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe