CID 6410505

Brn 0882883

Structural Information

Molecular Formula

C₅H₅N₃O₄

SMILES

COC1=C(C=C[N+](=N1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H5N3O4/c1-12-5-4(8(10)11)2-3-7(9)6-5/h2-3H,1H3

InChIKey

NYDZZSRFUGEIAM-UHFFFAOYSA-N

Compound name

3-methoxy-4-nitro-1-oxidopyridazin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.028 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]+	172.03528	133.4
[M+Na]+	194.01722	148.2
[M+NH4]+	189.06182	140.5
[M+K]+	209.99116	147.9
[M-H]-	170.02072	135.8
[M+Na-2H]-	192.00267	139.1
[M]+	171.02745	135.9
[M]-	171.02855	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.