CID 18769385

91912-53-7

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

C1=CN=CC=C1C2=CC(=NN2)N

InChI

InChI=1S/C8H8N4/c9-8-5-7(11-12-8)6-1-3-10-4-2-6/h1-5H,(H3,9,11,12)

InChIKey

MDRGSALNBWSYJX-UHFFFAOYSA-N

Compound name

5-pyridin-4-yl-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 160.07489 Da
Monoisotopic Mass: 0.5
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]+	161.08217	131.9
[M+Na]+	183.06411	144.6
[M+NH4]+	178.10871	139.6
[M+K]+	199.03805	140.6
[M-H]-	159.06761	134.2
[M+Na-2H]-	181.04956	140.3
[M]+	160.07434	134.1
[M]-	160.07544	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe