CID 54592627

2-(1h-pyrazol-1-ylmethyl)piperidine

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

C1CCNC(C1)CN2C=CC=N2

InChI

InChI=1S/C9H15N3/c1-2-5-10-9(4-1)8-12-7-3-6-11-12/h3,6-7,9-10H,1-2,4-5,8H2

InChIKey

ATBQLWNPIRCSIQ-UHFFFAOYSA-N

Compound name

2-(pyrazol-1-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.1266 Da
Monoisotopic Mass: 0.6
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]+	166.13388	138.5
[M+Na]+	188.11582	149.4
[M+NH4]+	183.16042	146.6
[M+K]+	204.08976	144.7
[M-H]-	164.11932	140.1
[M+Na-2H]-	186.10127	144.8
[M]+	165.12605	140.2
[M]-	165.12715	140.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.