CID 54592628

2-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]piperidine

Structural Information

Molecular Formula

C₁₁H₁₉N₃

SMILES

CC1=CC(=NN1CC2CCCCN2)C

InChI

InChI=1S/C11H19N3/c1-9-7-10(2)14(13-9)8-11-5-3-4-6-12-11/h7,11-12H,3-6,8H2,1-2H3

InChIKey

MKEUMBYEBAKUBA-UHFFFAOYSA-N

Compound name

2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.1579 Da
Monoisotopic Mass: 1.4
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]+	194.165176	147.1
[M+Na]+	216.147118	153.4
[M-H]-	192.150624	147.8
[M+NH4]+	211.191723	163.6
[M+K]+	232.121058	149.8
[M+H-H2O]+	176.155160	138.4
[M+HCOO]-	238.156101	163.4
[M+CH3COO]-	252.171751	181.8
[M+Na-2H]-	214.132566	148.9
[M]+	193.15735142	142.0
[M]-	193.15844858	142.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.