CID 57250280

4-(cyclopentylmethyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

C1CCC(C1)CC2CCNCC2

InChI

InChI=1S/C11H21N/c1-2-4-10(3-1)9-11-5-7-12-8-6-11/h10-12H,1-9H2

InChIKey

RKPWYXBDPSDLAT-UHFFFAOYSA-N

Compound name

4-(cyclopentylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 167.1674 Da
Monoisotopic Mass: 3.3
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]+	168.174676	142.2
[M+Na]+	190.156618	144.4
[M-H]-	166.160124	144.2
[M+NH4]+	185.201223	161.7
[M+K]+	206.130558	141.6
[M+H-H2O]+	150.164660	134.9
[M+HCOO]-	212.165601	158.2
[M+CH3COO]-	226.181251	174.9
[M+Na-2H]-	188.142066	143.6
[M]+	167.16685142	132.3
[M]-	167.16794858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe