CID 73736

1-piperidinecarbonitrile

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CCN(CC1)C#N

InChI

InChI=1S/C6H10N2/c7-6-8-4-2-1-3-5-8/h1-5H2

InChIKey

NVPICXQHSYQKGM-UHFFFAOYSA-N

Compound name

piperidine-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1308
Patents: 110.0844 Da
Monoisotopic Mass: 1.4
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]+	111.091676	119.2
[M+Na]+	133.073618	127.0
[M-H]-	109.077124	120.6
[M+NH4]+	128.118223	138.3
[M+K]+	149.047558	125.3
[M+H-H2O]+	93.081660	106.7
[M+HCOO]-	155.082601	136.0
[M+CH3COO]-	169.098251	181.0
[M+Na-2H]-	131.059066	126.1
[M]+	110.08385142	109.9
[M]-	110.08494858	109.9

Literature stripe

literature stripe

Patent stripe

patents stripe