CID 3068149

2-(ethoxymethyl)-5-methylpyrazine 4-oxide

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOCC1=NC=C([N+](=C1)[O-])C
InChI
InChI=1S/C8H12N2O2/c1-3-12-6-8-5-10(11)7(2)4-9-8/h4-5H,3,6H2,1-2H3
InChIKey
GPSCSOCWBXEKTL-UHFFFAOYSA-N
Compound name
5-(ethoxymethyl)-2-methyl-1-oxidopyrazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

168.08987 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 133.7
[M+Na]+ 191.07909 148.8
[M+NH4]+ 186.12369 141.8
[M+K]+ 207.05303 144.5
[M-H]- 167.08259 135.7
[M+Na-2H]- 189.06454 140.4
[M]+ 168.08932 136.4
[M]- 168.09042 136.4
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