CID 21817852

21579-36-2

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

COC(=O)C1=CNN=CC1=O

InChI

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

InChIKey

OYHGCTXOAXXJNS-UHFFFAOYSA-N

Compound name

methyl 4-oxo-1H-pyridazine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.03784 Da
Monoisotopic Mass: -0.1
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]+	155.04512	128.5
[M+Na]+	177.02706	140.8
[M+NH4]+	172.07166	134.8
[M+K]+	193.00100	136.6
[M-H]-	153.03056	127.6
[M+Na-2H]-	175.01251	134.3
[M]+	154.03729	129.7
[M]-	154.03839	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe