CID 78472

4734-49-0

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

C1CCN(CC1)CCCCC#N

InChI

InChI=1S/C10H18N2/c11-7-3-1-4-8-12-9-5-2-6-10-12/h1-6,8-10H2

InChIKey

FDSRLFIEZWQEEU-UHFFFAOYSA-N

Compound name

5-piperidin-1-ylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 166.147 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]+	167.15428	134.8
[M+Na]+	189.13622	141.1
[M-H]-	165.13972	135.5
[M+NH4]+	184.18082	151.9
[M+K]+	205.11016	138.4
[M+H-H2O]+	149.14426	121.6
[M+HCOO]-	211.14520	150.4
[M+CH3COO]-	225.16085	191.9
[M+Na-2H]-	187.12167	139.8
[M]+	166.14645	126.7
[M]-	166.14755	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe