CID 117213079

5-carbamoylpyrazine-2-carboxylic acid

Structural Information

Molecular Formula

C₆H₅N₃O₃

SMILES

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

InChI

InChI=1S/C6H5N3O3/c7-5(10)3-1-9-4(2-8-3)6(11)12/h1-2H,(H2,7,10)(H,11,12)

InChIKey

ZIMOOJPJWDBGGB-UHFFFAOYSA-N

Compound name

5-carbamoylpyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 167.0331 Da
Monoisotopic Mass: -1.1
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]+	168.04038	131.7
[M+Na]+	190.02232	142.0
[M+NH4]+	185.06692	137.1
[M+K]+	205.99626	139.4
[M-H]-	166.02582	130.6
[M+Na-2H]-	188.00777	136.3
[M]+	167.03255	132.3
[M]-	167.03365	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe