CID 72207517

863032-31-9

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

COC(=O)CC1=CN=NC=C1

InChI

InChI=1S/C7H8N2O2/c1-11-7(10)4-6-2-3-8-9-5-6/h2-3,5H,4H2,1H3

InChIKey

KVEYLMIGFBBEHX-UHFFFAOYSA-N

Compound name

methyl 2-pyridazin-4-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.05858 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]+	153.06586	129.9
[M+Na]+	175.04780	142.6
[M+NH4]+	170.09240	137.3
[M+K]+	191.02174	137.2
[M-H]-	151.05130	130.2
[M+Na-2H]-	173.03325	136.9
[M]+	152.05803	131.6
[M]-	152.05913	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.