CID 121021

1-phenyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CC=C(C=C1)N2C=C(C=N2)N

InChI

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

InChIKey

ZISOEBMQOZOEOG-UHFFFAOYSA-N

Compound name

1-phenylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 254
Patents: 159.07965 Da
Monoisotopic Mass: 1.2
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]+	160.086926	130.9
[M+Na]+	182.068868	139.8
[M-H]-	158.072374	135.0
[M+NH4]+	177.113473	150.3
[M+K]+	198.042808	136.6
[M+H-H2O]+	142.076910	122.9
[M+HCOO]-	204.077851	155.6
[M+CH3COO]-	218.093501	144.7
[M+Na-2H]-	180.054316	137.9
[M]+	159.07910142	128.8
[M]-	159.08019858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe