CID 82599952

4-cyclopentylpiperidine-4-carbonitrile

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

C1CCC(C1)C2(CCNCC2)C#N

InChI

InChI=1S/C11H18N2/c12-9-11(5-7-13-8-6-11)10-3-1-2-4-10/h10,13H,1-8H2

InChIKey

YTFWVNMSZMEAFQ-UHFFFAOYSA-N

Compound name

4-cyclopentylpiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.147 Da
Monoisotopic Mass: 2.0
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]+	179.15428	142.0
[M+Na]+	201.13622	148.6
[M-H]-	177.13972	144.0
[M+NH4]+	196.18082	160.9
[M+K]+	217.11016	142.8
[M+H-H2O]+	161.14426	128.7
[M+HCOO]-	223.14520	155.3
[M+CH3COO]-	237.16085	151.7
[M+Na-2H]-	199.12167	144.7
[M]+	178.14645	128.6
[M]-	178.14755	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe