CID 98415

23239-13-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1C(C(=NNC1=O)C2=CC=CC=C2)CO

InChI

InChI=1S/C11H12N2O2/c14-7-9-6-10(15)12-13-11(9)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,15)

InChIKey

UAYIYEKRCXWKAR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 0.3
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]+	205.097146	144.9
[M+Na]+	227.079088	152.0
[M-H]-	203.082594	146.0
[M+NH4]+	222.123693	159.6
[M+K]+	243.053028	147.5
[M+H-H2O]+	187.087130	136.9
[M+HCOO]-	249.088071	162.3
[M+CH3COO]-	263.103721	179.5
[M+Na-2H]-	225.064536	150.2
[M]+	204.08932142	140.3
[M]-	204.09041858	140.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.