CID 57108017

Dtxsid5034694

Structural Information

Molecular Formula

C₄H₄N₂O₂

SMILES

C1C=C(N=NC1=O)O

InChI

InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1,7H,2H2

InChIKey

IRBXDIKTBDQVOK-UHFFFAOYSA-N

Compound name

6-hydroxy-4H-pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 112.027275 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]+	113.034551	117.4
[M+Na]+	135.016493	126.8
[M-H]-	111.019999	117.4
[M+NH4]+	130.061098	136.9
[M+K]+	150.990433	125.6
[M+H-H2O]+	95.024535	111.2
[M+HCOO]-	157.025476	138.7
[M+CH3COO]-	171.041126	163.5
[M+Na-2H]-	133.001941	126.2
[M]+	112.02672642	115.8
[M]-	112.02782358	115.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe