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

22
Patents

182.06914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 136.8
[M+Na]+ 205.058358 145.9
[M-H]- 181.061864 137.1
[M+NH4]+ 200.102963 153.5
[M+K]+ 221.032298 140.0
[M+H-H2O]+ 165.066400 134.8
[M+HCOO]- 227.067341 158.1
[M+CH3COO]- 241.082991 171.2
[M+Na-2H]- 203.043806 144.7
[M]+ 182.06859142 137.1
[M]- 182.06968858 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