CID 12990801

4-hydroxy-5-nitro-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula

C₄H₃N₃O₄

SMILES

C1=C(C(=O)C(=O)NN1)[N+](=O)[O-]

InChI

InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-6-4(3)9/h1H,(H,5,8)(H,6,9)

InChIKey

ZRZQHOGQSIIRGL-UHFFFAOYSA-N

Compound name

5-nitro-1,2-dihydropyridazine-3,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.01236 Da
Monoisotopic Mass: -0.3
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]+	158.01964	122.8
[M+Na]+	180.00158	132.5
[M-H]-	156.00508	122.3
[M+NH4]+	175.04618	139.0
[M+K]+	195.97552	125.6
[M+H-H2O]+	140.00962	121.2
[M+HCOO]-	202.01056	145.4
[M+CH3COO]-	216.02621	161.9
[M+Na-2H]-	177.98703	132.8
[M]+	157.01181	119.0
[M]-	157.01291	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe