CID 594274

4-(1h-pyrazol-1-yl)aniline

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CN(N=C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C9H9N3/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,10H2

InChIKey

CSFIQHZIFKIQNO-UHFFFAOYSA-N

Compound name

4-pyrazol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 616
Patents: 159.07965 Da
Monoisotopic Mass: 1.5
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]+	160.08693	132.1
[M+Na]+	182.06887	145.4
[M+NH4]+	177.11347	140.9
[M+K]+	198.04281	140.5
[M-H]-	158.07237	135.8
[M+Na-2H]-	180.05432	141.3
[M]+	159.07910	134.9
[M]-	159.08020	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe