CID 117891921

2094139-61-2

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

CN1C=C(N=CC1=O)C(=O)O

InChI

InChI=1S/C6H6N2O3/c1-8-3-4(6(10)11)7-2-5(8)9/h2-3H,1H3,(H,10,11)

InChIKey

FVZNDMILWBKFCS-UHFFFAOYSA-N

Compound name

4-methyl-5-oxopyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 154.03784 Da
Monoisotopic Mass: -0.8
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]+	155.04512	128.2
[M+Na]+	177.02706	140.8
[M+NH4]+	172.07166	134.5
[M+K]+	193.00100	136.9
[M-H]-	153.03056	127.3
[M+Na-2H]-	175.01251	133.8
[M]+	154.03729	129.5
[M]-	154.03839	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe