CID 7741

Betazole

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

C1=C(NN=C1)CCN

InChI

InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)

InChIKey

JXDFEQONERDKSS-UHFFFAOYSA-N

Compound name

2-(1H-pyrazol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 126
References: 1077
Patents: 111.07965 Da
Monoisotopic Mass: -0.4
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]+	112.08693	121.0
[M+Na]+	134.06887	131.0
[M+NH4]+	129.11347	128.8
[M+K]+	150.04281	127.7
[M-H]-	110.07237	121.3
[M+Na-2H]-	132.05432	126.6
[M]+	111.07910	122.1
[M]-	111.08020	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe