CID 71695345

3-[3-(propan-2-yl)-1h-pyrazol-5-yl]piperidine

Structural Information

Molecular Formula

C₁₁H₁₉N₃

SMILES

CC(C)C1=NNC(=C1)C2CCCNC2

InChI

InChI=1S/C11H19N3/c1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9/h6,8-9,12H,3-5,7H2,1-2H3,(H,13,14)

InChIKey

GYWURNRSYQPZNC-UHFFFAOYSA-N

Compound name

3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.1579 Da
Monoisotopic Mass: 1.5
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]+	194.165176	147.8
[M+Na]+	216.147118	152.4
[M-H]-	192.150624	146.8
[M+NH4]+	211.191723	163.2
[M+K]+	232.121058	148.4
[M+H-H2O]+	176.155160	139.2
[M+HCOO]-	238.156101	161.6
[M+CH3COO]-	252.171751	157.4
[M+Na-2H]-	214.132566	148.7
[M]+	193.15735142	139.9
[M]-	193.15844858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe