CID 3013079

Schembl21877862

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CCOC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C)C
InChI
InChI=1S/C12H14N2O3/c1-4-17-10-5-6-11-12(7-10)14(16)9(3)8(2)13(11)15/h5-7H,4H2,1-3H3
InChIKey
YPMPPUMTNNIGTM-UHFFFAOYSA-N
Compound name
6-ethoxy-2,3-dimethyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 150.8
[M+Na]+ 257.08967 162.1
[M-H]- 233.09317 152.6
[M+NH4]+ 252.13427 167.0
[M+K]+ 273.06361 154.0
[M+H-H2O]+ 217.09771 148.2
[M+HCOO]- 279.09865 171.3
[M+CH3COO]- 293.11430 184.4
[M+Na-2H]- 255.07512 158.8
[M]+ 234.09990 153.1
[M]- 234.10100 153.1
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.