CID 687205

2166-32-7

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CC1=CC=C(C=C1)C2=NNC(=O)C=C2

InChI

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

InChIKey

LARMXWJBFDZFNL-UHFFFAOYSA-N

Compound name

3-(4-methylphenyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 15
Patents: 186.07932 Da
Monoisotopic Mass: 1.6
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]+	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