CID 95157

3-hydroxy-1-methylpyridazin-6(1h)-one

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

CN1C(=O)C=CC(=O)N1

InChI

InChI=1S/C5H6N2O2/c1-7-5(9)3-2-4(8)6-7/h2-3H,1H3,(H,6,8)

InChIKey

UAECOHJYXUJDOF-UHFFFAOYSA-N

Compound name

2-methyl-1H-pyridazine-3,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 126.04293 Da
Monoisotopic Mass: -0.8
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]+	127.05021	121.0
[M+Na]+	149.03215	134.7
[M+NH4]+	144.07675	128.1
[M+K]+	165.00609	129.5
[M-H]-	125.03565	120.9
[M+Na-2H]-	147.01760	127.6
[M]+	126.04238	122.7
[M]-	126.04348	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe