CID 9124994

63001-30-9

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

COC(=O)C1=NNC(=O)C=C1

InChI

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

InChIKey

REYKVZJYIFOXTI-UHFFFAOYSA-N

Compound name

methyl 6-oxo-1H-pyridazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 237
Patents: 154.03784 Da
Monoisotopic Mass: -0.4
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	127.0
[M+Na]+	177.02706	136.5
[M-H]-	153.03056	127.2
[M+NH4]+	172.07166	144.8
[M+K]+	193.00100	135.0
[M+H-H2O]+	137.03510	120.3
[M+HCOO]-	199.03604	148.5
[M+CH3COO]-	213.05169	170.8
[M+Na-2H]-	175.01251	134.5
[M]+	154.03729	127.6
[M]-	154.03839	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe