CID 27491

2,3-dihydroxyquinoxaline

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC=C2C(=C1)NC(=O)C(=O)N2
InChI
InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
InChIKey
ABJFBJGGLJVMAQ-UHFFFAOYSA-N
Compound name
1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

37
References

2997
Patents

162.04292 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 128.8
[M+Na]+ 185.03214 139.7
[M-H]- 161.03564 128.8
[M+NH4]+ 180.07674 146.8
[M+K]+ 201.00608 134.8
[M+H-H2O]+ 145.04018 122.3
[M+HCOO]- 207.04112 148.7
[M+CH3COO]- 221.05677 142.0
[M+Na-2H]- 183.01759 138.5
[M]+ 162.04237 126.7
[M]- 162.04347 126.7
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