CID 284752

768-36-5

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

C1=C[N+](=CC(=N1)C(=O)N)[O-]

InChI

InChI=1S/C5H5N3O2/c6-5(9)4-3-8(10)2-1-7-4/h1-3H,(H2,6,9)

InChIKey

WWQPCELPPKZBJE-UHFFFAOYSA-N

Compound name

4-oxidopyrazin-4-ium-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 139.03818 Da
Monoisotopic Mass: -2.0
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]+	140.04546	123.3
[M+Na]+	162.02740	131.9
[M-H]-	138.03090	123.1
[M+NH4]+	157.07200	140.7
[M+K]+	178.00134	125.6
[M+H-H2O]+	122.03544	121.4
[M+HCOO]-	184.03638	145.8
[M+CH3COO]-	198.05203	163.4
[M+Na-2H]-	160.01285	132.8
[M]+	139.03763	119.1
[M]-	139.03873	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe