CID 132368231

2155855-51-7

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CCOC(=O)C(C#N)C1CCNCC1

InChI

InChI=1S/C10H16N2O2/c1-2-14-10(13)9(7-11)8-3-5-12-6-4-8/h8-9,12H,2-6H2,1H3

InChIKey

COSLYGNZDLVKCV-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-piperidin-4-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.12119 Da
Monoisotopic Mass: 0.7
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]+	197.128466	143.7
[M+Na]+	219.110408	149.2
[M-H]-	195.113914	143.2
[M+NH4]+	214.155013	158.7
[M+K]+	235.084348	147.1
[M+H-H2O]+	179.118450	130.6
[M+HCOO]-	241.119391	156.6
[M+CH3COO]-	255.135041	193.2
[M+Na-2H]-	217.095856	145.7
[M]+	196.12064142	134.5
[M]-	196.12173858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe