CID 42281882

1-[2-(piperidin-1-yl)ethyl]-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₈N₄

SMILES

C1CCN(CC1)CCN2C=C(C=N2)N

InChI

InChI=1S/C10H18N4/c11-10-8-12-14(9-10)7-6-13-4-2-1-3-5-13/h8-9H,1-7,11H2

InChIKey

GPRKMRZDNYXLKF-UHFFFAOYSA-N

Compound name

1-(2-piperidin-1-ylethyl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 194.15315 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]+	195.160426	145.1
[M+Na]+	217.142368	150.4
[M-H]-	193.145874	146.4
[M+NH4]+	212.186973	161.4
[M+K]+	233.116308	147.5
[M+H-H2O]+	177.150410	135.6
[M+HCOO]-	239.151351	163.7
[M+CH3COO]-	253.167001	184.5
[M+Na-2H]-	215.127816	148.3
[M]+	194.15260142	139.5
[M]-	194.15369858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe