CID 420926

3-cyanopiperidine

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CC(CNC1)C#N

InChI

InChI=1S/C6H10N2/c7-4-6-2-1-3-8-5-6/h6,8H,1-3,5H2

InChIKey

ZGNXATVKGIJQGC-UHFFFAOYSA-N

Compound name

piperidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 543
Patents: 110.0844 Da
Monoisotopic Mass: 0.0
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]+	111.09168	127.0
[M+Na]+	133.07362	137.3
[M+NH4]+	128.11822	132.3
[M+K]+	149.04756	128.2
[M-H]-	109.07712	121.0
[M+Na-2H]-	131.05907	129.9
[M]+	110.08385	125.7
[M]-	110.08495	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe