CID 73225

6309-61-1

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=CC2=C(C=C1)NC(=O)C(=O)N2
InChI
InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKey
HOHZZPCLZWZMOM-UHFFFAOYSA-N
Compound name
6-methyl-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

116
Patents

176.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.2
[M+Na]+ 199.04780 148.9
[M+NH4]+ 194.09240 141.7
[M+K]+ 215.02174 142.7
[M-H]- 175.05130 134.7
[M+Na-2H]- 197.03325 140.5
[M]+ 176.05803 136.3
[M]- 176.05913 136.3
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