CID 45099686

67074-71-9

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

CN1C2=C(NC(=O)C1=O)N=CC=C2

InChI

InChI=1S/C8H7N3O2/c1-11-5-3-2-4-9-6(5)10-7(12)8(11)13/h2-4H,1H3,(H,9,10,12)

InChIKey

BSQBDLZRKDSFOK-UHFFFAOYSA-N

Compound name

1-methyl-4H-pyrido[2,3-b]pyrazine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.05383 Da
Monoisotopic Mass: -0.1
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]+	178.06111	133.9
[M+Na]+	200.04305	146.2
[M-H]-	176.04655	134.1
[M+NH4]+	195.08765	150.9
[M+K]+	216.01699	141.9
[M+H-H2O]+	160.05109	126.4
[M+HCOO]-	222.05203	153.9
[M+CH3COO]-	236.06768	177.5
[M+Na-2H]-	198.02850	143.2
[M]+	177.05328	134.5
[M]-	177.05438	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe