CID 138223

4-cyanopiperidine

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CNCCC1C#N

InChI

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

InChIKey

FSDNTQSJGHSJBG-UHFFFAOYSA-N

Compound name

piperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27362
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	120.9
[M+Na]+	133.07362	128.4
[M-H]-	109.07712	121.1
[M+NH4]+	128.11822	139.3
[M+K]+	149.04756	125.9
[M+H-H2O]+	93.081660	108.7
[M+HCOO]-	155.08260	136.3
[M+CH3COO]-	169.09825	178.5
[M+Na-2H]-	131.05907	127.3
[M]+	110.08385	109.8
[M]-	110.08495	109.8

Literature stripe

literature stripe

Patent stripe

patents stripe