CID 3013074

2-(dimethoxymethyl)quinoxaline 1,4-dioxide

Structural Information

Molecular Formula
C11H12N2O4
SMILES
COC(C1=C[N+](=O)C2=CC=CC=C2N1[O-])OC
InChI
InChI=1S/C11H12N2O4/c1-16-11(17-2)10-7-12(14)8-5-3-4-6-9(8)13(10)15/h3-7,11H,1-2H3
InChIKey
BWTLITYWRKJWIM-UHFFFAOYSA-N
Compound name
3-(dimethoxymethyl)-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

236.07971 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 148.8
[M+Na]+ 259.06893 158.2
[M-H]- 235.07243 150.1
[M+NH4]+ 254.11353 164.1
[M+K]+ 275.04287 151.3
[M+H-H2O]+ 219.07697 145.8
[M+HCOO]- 281.07791 168.9
[M+CH3COO]- 295.09356 181.9
[M+Na-2H]- 257.05438 157.7
[M]+ 236.07916 150.7
[M]- 236.08026 150.7
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

patents stripe