CID 155821039

2490435-70-4

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

CNC1=CN=NC=C1C(=O)OC

InChI

InChI=1S/C7H9N3O2/c1-8-6-4-10-9-3-5(6)7(11)12-2/h3-4H,1-2H3,(H,8,9)

InChIKey

ITTNCIZJQHCHSZ-UHFFFAOYSA-N

Compound name

methyl 5-(methylamino)pyridazine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.06947 Da
Monoisotopic Mass: 0.2
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]+	168.07675	133.6
[M+Na]+	190.05869	145.3
[M+NH4]+	185.10329	140.4
[M+K]+	206.03263	140.6
[M-H]-	166.06219	134.1
[M+Na-2H]-	188.04414	140.0
[M]+	167.06892	135.1
[M]-	167.07002	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.