CID 12327764

10071-26-8

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

COC(=O)CC1=CC(=O)NNC1=O

InChI

InChI=1S/C7H8N2O4/c1-13-6(11)3-4-2-5(10)8-9-7(4)12/h2H,3H2,1H3,(H,8,10)(H,9,12)

InChIKey

BQUPTTOGBOMLEB-UHFFFAOYSA-N

Compound name

methyl 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 184.0484 Da
Monoisotopic Mass: -1.2
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]+	185.05568	136.1
[M+Na]+	207.03762	147.4
[M+NH4]+	202.08222	140.9
[M+K]+	223.01156	144.0
[M-H]-	183.04112	133.8
[M+Na-2H]-	205.02307	140.0
[M]+	184.04785	136.5
[M]-	184.04895	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe