CID 96030

6973-93-9

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1=CC2=C(C=C1N)NC(=O)C(=O)N2

InChI

InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,9H2,(H,10,12)(H,11,13)

InChIKey

DNCKPMPEGDANJK-UHFFFAOYSA-N

Compound name

6-amino-1,4-dihydroquinoxaline-2,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 63
Patents: 177.05383 Da
Monoisotopic Mass: -0.5
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]+	178.06111	133.3
[M+Na]+	200.04305	146.6
[M+NH4]+	195.08765	140.3
[M+K]+	216.01699	141.4
[M-H]-	176.04655	133.9
[M+Na-2H]-	198.02850	139.1
[M]+	177.05328	135.1
[M]-	177.05438	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe