CID 247489

2-hydroxy-3,6,7-trimethylquinoxaline

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC2=C(C=C1C)N=C(C(=O)N2)C
InChI
InChI=1S/C11H12N2O/c1-6-4-9-10(5-7(6)2)13-11(14)8(3)12-9/h4-5H,1-3H3,(H,13,14)
InChIKey
RYSAKTAGNQULLG-UHFFFAOYSA-N
Compound name
3,6,7-trimethyl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.6
[M+Na]+ 211.084178 151.3
[M-H]- 187.087684 141.2
[M+NH4]+ 206.128783 158.0
[M+K]+ 227.058118 146.8
[M+H-H2O]+ 171.092220 132.9
[M+HCOO]- 233.093161 159.6
[M+CH3COO]- 247.108811 183.5
[M+Na-2H]- 209.069626 146.7
[M]+ 188.09441142 140.5
[M]- 188.09550858 140.5
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