CID 84769363

99361-79-2

Structural Information

Molecular Formula

C₁₀H₈N₄

SMILES

C1=CC(=CC=C1N)N2C=C(C=N2)C#N

InChI

InChI=1S/C10H8N4/c11-5-8-6-13-14(7-8)10-3-1-9(12)2-4-10/h1-4,6-7H,12H2

InChIKey

MUDFGZJCEKNRFZ-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)pyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.07489 Da
Monoisotopic Mass: 0.9
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]+	185.08217	142.5
[M+Na]+	207.06411	154.9
[M+NH4]+	202.10871	147.1
[M+K]+	223.03805	147.0
[M-H]-	183.06761	138.3
[M+Na-2H]-	205.04956	147.9
[M]+	184.07434	142.1
[M]-	184.07544	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe