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

56
Patents

177.05383 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.5
[M+Na]+ 200.04305 144.5
[M-H]- 176.04655 133.4
[M+NH4]+ 195.08765 150.6
[M+K]+ 216.01699 139.3
[M+H-H2O]+ 160.05109 127.0
[M+HCOO]- 222.05203 153.9
[M+CH3COO]- 236.06768 176.7
[M+Na-2H]- 198.02850 141.8
[M]+ 177.05328 130.2
[M]- 177.05438 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe