CID 86775454

N-methyl-1-(piperidin-3-yl)-1h-pyrazole-3-carboxamide hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₆N₄O

SMILES

CNC(=O)C1=NN(C=C1)C2CCCNC2

InChI

InChI=1S/C10H16N4O/c1-11-10(15)9-4-6-14(13-9)8-3-2-5-12-7-8/h4,6,8,12H,2-3,5,7H2,1H3,(H,11,15)

InChIKey

ALNAOOBLZPTRJH-UHFFFAOYSA-N

Compound name

N-methyl-1-piperidin-3-ylpyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.13242 Da
Monoisotopic Mass: -0.1
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]+	209.139696	148.1
[M+Na]+	231.121638	152.9
[M-H]-	207.125144	148.7
[M+NH4]+	226.166243	163.1
[M+K]+	247.095578	149.9
[M+H-H2O]+	191.129680	138.9
[M+HCOO]-	253.130621	165.2
[M+CH3COO]-	267.146271	184.0
[M+Na-2H]-	229.107086	150.7
[M]+	208.13187142	141.6
[M]-	208.13296858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.