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: 9
Patents: 182.06914 Da
Monoisotopic Mass: -0.3
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]+	183.07642	136.1
[M+Na]+	205.05836	150.4
[M+NH4]+	200.10296	143.2
[M+K]+	221.03230	147.4
[M-H]-	181.06186	137.1
[M+Na-2H]-	203.04381	141.8
[M]+	182.06859	138.3
[M]-	182.06969	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe