CID 87768293

5-formylpyrazine-2-carboxamide

Structural Information

Molecular Formula

C₆H₅N₃O₂

SMILES

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

InChI

InChI=1S/C6H5N3O2/c7-6(11)5-2-8-4(3-10)1-9-5/h1-3H,(H2,7,11)

InChIKey

PZIYKCYGMAJUGE-UHFFFAOYSA-N

Compound name

5-formylpyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 151.03818 Da
Monoisotopic Mass: -1.2
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]+	152.04546	128.3
[M+Na]+	174.02740	139.9
[M+NH4]+	169.07200	134.8
[M+K]+	190.00134	135.6
[M-H]-	150.03090	128.4
[M+Na-2H]-	172.01285	134.3
[M]+	151.03763	129.6
[M]-	151.03873	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe