CID 24212027

902836-42-4

Structural Information

Molecular Formula

C₁₄H₁₆ClN₃

SMILES

C1CNCCC1N2C=C(C=N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C14H16ClN3/c15-14-4-2-1-3-13(14)11-9-17-18(10-11)12-5-7-16-8-6-12/h1-4,9-10,12,16H,5-8H2

InChIKey

RRRIXLCXVVGUTG-UHFFFAOYSA-N

Compound name

4-[4-(2-chlorophenyl)pyrazol-1-yl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.10327 Da
Monoisotopic Mass: 2.5
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]+	262.11055	160.1
[M+Na]+	284.09249	174.6
[M+NH4]+	279.13709	168.8
[M+K]+	300.06643	167.8
[M-H]-	260.09599	164.5
[M+Na-2H]-	282.07794	168.9
[M]+	261.10272	163.6
[M]-	261.10382	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe