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]+ 205.097146 142.4
[M+Na]+ 227.079088 154.4
[M-H]- 203.082594 144.4
[M+NH4]+ 222.123693 160.0
[M+K]+ 243.053028 146.0
[M+H-H2O]+ 187.087130 140.4
[M+HCOO]- 249.088071 163.1
[M+CH3COO]- 263.103721 179.3
[M+Na-2H]- 225.064536 150.9
[M]+ 204.08932142 143.1
[M]- 204.09041858 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.