CID 42961301

3-(1h-pyrazol-5-yl)piperidine

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

C1CC(CNC1)C2=CC=NN2

InChI

InChI=1S/C8H13N3/c1-2-7(6-9-4-1)8-3-5-10-11-8/h3,5,7,9H,1-2,4,6H2,(H,10,11)

InChIKey

DZMZZFAVAYXTJD-UHFFFAOYSA-N

Compound name

3-(1H-pyrazol-5-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 39
Patents: 151.11095 Da
Monoisotopic Mass: 0.4
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]+	152.11823	134.4
[M+Na]+	174.10017	144.9
[M+NH4]+	169.14477	142.3
[M+K]+	190.07411	140.8
[M-H]-	150.10367	135.5
[M+Na-2H]-	172.08562	140.4
[M]+	151.11040	135.8
[M]-	151.11150	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe