CID 11615285

51037-35-5

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCOC(=O)C1=NC=C([N+](=C1)[O-])C
InChI
InChI=1S/C8H10N2O3/c1-3-13-8(11)7-5-10(12)6(2)4-9-7/h4-5H,3H2,1-2H3
InChIKey
LELTZNKIJPKMAU-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-4-oxidopyrazin-4-ium-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

182.06914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.8
[M+Na]+ 205.05836 145.9
[M-H]- 181.06186 137.1
[M+NH4]+ 200.10296 153.5
[M+K]+ 221.03230 140.0
[M+H-H2O]+ 165.06640 134.8
[M+HCOO]- 227.06734 158.1
[M+CH3COO]- 241.08299 171.2
[M+Na-2H]- 203.04381 144.7
[M]+ 182.06859 137.1
[M]- 182.06969 137.1
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

patents stripe