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: 23
Patents: 236.07971 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.086986	148.8
[M+Na]+	259.068928	158.2
[M-H]-	235.072434	150.1
[M+NH4]+	254.113533	164.1
[M+K]+	275.042868	151.3
[M+H-H2O]+	219.076970	145.8
[M+HCOO]-	281.077911	168.9
[M+CH3COO]-	295.093561	181.9
[M+Na-2H]-	257.054376	157.7
[M]+	236.07916142	150.7
[M]-	236.08025858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe