CID 3013076

2,3,6-trimethyl-quinoxaline 1,4-dioxide

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C)C
InChI
InChI=1S/C11H12N2O2/c1-7-4-5-10-11(6-7)13(15)9(3)8(2)12(10)14/h4-6H,1-3H3
InChIKey
KYPMGERQMXDARN-UHFFFAOYSA-N
Compound name
2,3,6-trimethyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.4
[M+Na]+ 227.07909 154.4
[M-H]- 203.08259 144.4
[M+NH4]+ 222.12369 160.0
[M+K]+ 243.05303 146.0
[M+H-H2O]+ 187.08713 140.4
[M+HCOO]- 249.08807 163.1
[M+CH3COO]- 263.10372 179.3
[M+Na-2H]- 225.06454 150.9
[M]+ 204.08932 143.1
[M]- 204.09042 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.