CID 55263789

5-oxo-4,5-dihydropyrazine-2-carbaldehyde

Structural Information

Molecular Formula

C₅H₄N₂O₂

SMILES

C1=C(N=CC(=O)N1)C=O

InChI

InChI=1S/C5H4N2O2/c8-3-4-1-7-5(9)2-6-4/h1-3H,(H,7,9)

InChIKey

MLLJYHQEERKKLV-UHFFFAOYSA-N

Compound name

6-oxo-1H-pyrazine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 124.027275 Da
Monoisotopic Mass: -1.0
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]+	125.034551	119.2
[M+Na]+	147.016493	129.5
[M-H]-	123.019999	119.5
[M+NH4]+	142.061098	138.3
[M+K]+	162.990433	127.2
[M+H-H2O]+	107.024535	112.9
[M+HCOO]-	169.025476	141.8
[M+CH3COO]-	183.041126	165.4
[M+Na-2H]-	145.001941	128.5
[M]+	124.02672642	118.7
[M]-	124.02782358	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe