CID 206681

1-(pyridin-2-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

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

InChI

InChI=1S/C8H8N4/c9-7-5-11-12(6-7)8-3-1-2-4-10-8/h1-6H,9H2

InChIKey

MKNNPOHQZOTMHM-UHFFFAOYSA-N

Compound name

1-pyridin-2-ylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 47
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	130.9
[M+Na]+	183.06411	140.3
[M-H]-	159.06761	133.7
[M+NH4]+	178.10871	148.8
[M+K]+	199.03805	137.1
[M+H-H2O]+	143.07215	122.1
[M+HCOO]-	205.07309	154.6
[M+CH3COO]-	219.08874	144.4
[M+Na-2H]-	181.04956	138.4
[M]+	160.07434	128.9
[M]-	160.07544	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe