CID 2366695

100047-66-3

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

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

InChI

InChI=1S/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)

InChIKey

VSWNRKPYWTWWBV-UHFFFAOYSA-N

Compound name

1-methyl-6-oxopyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 210
Patents: 154.03784 Da
Monoisotopic Mass: -0.6
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]+	155.04512	128.2
[M+Na]+	177.02706	140.8
[M+NH4]+	172.07166	134.5
[M+K]+	193.00100	136.9
[M-H]-	153.03056	127.3
[M+Na-2H]-	175.01251	133.8
[M]+	154.03729	129.5
[M]-	154.03839	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe