CID 3047628

3(2h)-pyridazinone, 6-methyl-5-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CC1=NNC(=O)C=C1C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O/c1-8-10(7-11(14)13-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)

InChIKey

DPSJEWYEDAVZHV-UHFFFAOYSA-N

Compound name

3-methyl-4-phenyl-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 186.07932 Da
Monoisotopic Mass: 1.2
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]+	187.08660	139.1
[M+Na]+	209.06854	155.0
[M+NH4]+	204.11314	147.4
[M+K]+	225.04248	147.5
[M-H]-	185.07204	142.4
[M+Na-2H]-	207.05399	149.1
[M]+	186.07877	142.3
[M]-	186.07987	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe