CID 4736916

33548-32-2

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CN1C(=O)CCC(=N1)C(=O)O

InChI

InChI=1S/C6H8N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H2,1H3,(H,10,11)

InChIKey

QAMPBVPSOZEYTC-UHFFFAOYSA-N

Compound name

1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 156.0535 Da
Monoisotopic Mass: -0.9
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]+	157.06078	131.1
[M+Na]+	179.04272	141.9
[M+NH4]+	174.08732	137.3
[M+K]+	195.01666	138.3
[M-H]-	155.04622	129.8
[M+Na-2H]-	177.02817	134.8
[M]+	156.05295	131.9
[M]-	156.05405	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe