CID 99621

27372-38-9

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

C1CC(=O)NN=C1C(=O)O

InChI

InChI=1S/C5H6N2O3/c8-4-2-1-3(5(9)10)6-7-4/h1-2H2,(H,7,8)(H,9,10)

InChIKey

VUADWGRLHPTYPI-UHFFFAOYSA-N

Compound name

6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 125
Patents: 142.03784 Da
Monoisotopic Mass: -1.1
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]+	143.04512	127.5
[M+Na]+	165.02706	137.5
[M+NH4]+	160.07166	133.4
[M+K]+	181.00100	134.2
[M-H]-	141.03056	125.6
[M+Na-2H]-	163.01251	131.0
[M]+	142.03729	127.8
[M]-	142.03839	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe