CID 84765

1-(cyanoacetyl)piperidine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CCN(CC1)C(=O)CC#N

InChI

InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2

InChIKey

ANLQHFYDQPMDJY-UHFFFAOYSA-N

Compound name

3-oxo-3-piperidin-1-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 190
Patents: 152.09496 Da
Monoisotopic Mass: 0.5
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]+	153.10224	131.0
[M+Na]+	175.08418	138.1
[M-H]-	151.08768	132.1
[M+NH4]+	170.12878	148.4
[M+K]+	191.05812	136.2
[M+H-H2O]+	135.09222	118.1
[M+HCOO]-	197.09316	146.6
[M+CH3COO]-	211.10881	187.5
[M+Na-2H]-	173.06963	135.6
[M]+	152.09441	122.2
[M]-	152.09551	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe