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

13
Patents

168.08987 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 135.1
[M+Na]+ 191.079088 144.2
[M-H]- 167.082594 135.3
[M+NH4]+ 186.123693 152.5
[M+K]+ 207.053028 138.0
[M+H-H2O]+ 151.087130 133.1
[M+HCOO]- 213.088071 157.0
[M+CH3COO]- 227.103721 170.3
[M+Na-2H]- 189.064536 144.0
[M]+ 168.08932142 135.5
[M]- 168.09041858 135.5
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