CID 459137

6-methyl-2-phenylpyridazin-3(2h)-one

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

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

InChI

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

InChIKey

HAOIDJNHHQPEGC-UHFFFAOYSA-N

Compound name

6-methyl-2-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 186.07932 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]+	187.08660	137.6
[M+Na]+	209.06854	147.8
[M-H]-	185.07204	142.2
[M+NH4]+	204.11314	154.8
[M+K]+	225.04248	144.0
[M+H-H2O]+	169.07658	129.3
[M+HCOO]-	231.07752	160.7
[M+CH3COO]-	245.09317	151.3
[M+Na-2H]-	207.05399	146.0
[M]+	186.07877	138.1
[M]-	186.07987	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe