CID 96774

3-aminopyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

C1=NNC(=C1C(=O)O)N

InChI

InChI=1S/C4H5N3O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,8,9)(H3,5,6,7)

InChIKey

KMRVTZLKQPFHFS-UHFFFAOYSA-N

Compound name

5-amino-1H-pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 626
Patents: 127.03818 Da
Monoisotopic Mass: -0.1
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]+	128.04546	122.9
[M+Na]+	150.02740	131.7
[M+NH4]+	145.07200	128.9
[M+K]+	166.00134	130.9
[M-H]-	126.03090	121.3
[M+Na-2H]-	148.01285	126.4
[M]+	127.03763	123.1
[M]-	127.03873	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe