CID 217732

39496-54-3

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCCOC1=CC=C(C=C1)C2=NNC(=O)CC2

InChI

InChI=1S/C13H16N2O2/c1-2-9-17-11-5-3-10(4-6-11)12-7-8-13(16)15-14-12/h3-6H,2,7-9H2,1H3,(H,15,16)

InChIKey

JECPTYOLILQNAT-UHFFFAOYSA-N

Compound name

3-(4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 8
Patents: 232.12119 Da
Monoisotopic Mass: 1.8
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]+	233.12847	153.2
[M+Na]+	255.11041	159.8
[M-H]-	231.11391	155.3
[M+NH4]+	250.15501	167.5
[M+K]+	271.08435	155.8
[M+H-H2O]+	215.11845	144.4
[M+HCOO]-	277.11939	171.5
[M+CH3COO]-	291.13504	188.0
[M+Na-2H]-	253.09586	157.9
[M]+	232.12064	151.1
[M]-	232.12174	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe