CID 66632

89-26-9

Structural Information

Molecular Formula

C₁₀H₉N₃O₃

SMILES

C1C(=NN(C1=O)C2=CC=CC(=C2)N)C(=O)O

InChI

InChI=1S/C10H9N3O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-4H,5,11H2,(H,15,16)

InChIKey

SWHUGXBRBHHKFB-UHFFFAOYSA-N

Compound name

1-(3-aminophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 219.06439 Da
Monoisotopic Mass: 0.2
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]+	220.07167	146.6
[M+Na]+	242.05361	157.1
[M+NH4]+	237.09821	152.4
[M+K]+	258.02755	155.3
[M-H]-	218.05711	147.4
[M+Na-2H]-	240.03906	151.6
[M]+	219.06384	147.8
[M]-	219.06494	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe