CID 19816947

2,6-dihydroxypyrazine

Structural Information

Molecular Formula

C₄H₄N₂O₂

SMILES

C1=C(NC(=O)C=N1)O

InChI

InChI=1S/C4H4N2O2/c7-3-1-5-2-4(8)6-3/h1-2H,(H2,6,7,8)

InChIKey

PNRQHWPHDMMJQV-UHFFFAOYSA-N

Compound name

6-hydroxy-1H-pyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 112.027275 Da
Monoisotopic Mass: -0.9
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]+	113.034551	116.9
[M+Na]+	135.016493	126.9
[M-H]-	111.019999	115.9
[M+NH4]+	130.061098	135.8
[M+K]+	150.990433	124.5
[M+H-H2O]+	95.024535	110.9
[M+HCOO]-	157.025476	138.1
[M+CH3COO]-	171.041126	160.7
[M+Na-2H]-	133.001941	126.1
[M]+	112.02672642	114.8
[M]-	112.02782358	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe