CID 22413225

5-carbamoyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula

C₅H₅N₃O₃

SMILES

C1=C(NN=C1C(=O)N)C(=O)O

InChI

InChI=1S/C5H5N3O3/c6-4(9)2-1-3(5(10)11)8-7-2/h1H,(H2,6,9)(H,7,8)(H,10,11)

InChIKey

BOHBEMLNBWHEIL-UHFFFAOYSA-N

Compound name

3-carbamoyl-1H-pyrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 155.0331 Da
Monoisotopic Mass: -0.7
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]+	156.04038	129.9
[M+Na]+	178.02232	137.7
[M+NH4]+	173.06692	134.7
[M+K]+	193.99626	137.9
[M-H]-	154.02582	127.3
[M+Na-2H]-	176.00777	132.2
[M]+	155.03255	129.5
[M]-	155.03365	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe