CID 28063741

4-(1h-pyrazol-1-ylmethyl)piperidine

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

C1CNCCC1CN2C=CC=N2

InChI

InChI=1S/C9H15N3/c1-4-11-12(7-1)8-9-2-5-10-6-3-9/h1,4,7,9-10H,2-3,5-6,8H2

InChIKey

ZLTMCLFJUNUCHO-UHFFFAOYSA-N

Compound name

4-(pyrazol-1-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 165.1266 Da
Monoisotopic Mass: 0.5
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

No literature data available for this compound.

Patent stripe

patents stripe