CID 20569908

Piperidin-4-yl ethylcarbamate

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CCNC(=O)OC1CCNCC1

InChI

InChI=1S/C8H16N2O2/c1-2-10-8(11)12-7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,10,11)

InChIKey

JIYLLYLKTJCEEL-UHFFFAOYSA-N

Compound name

piperidin-4-yl N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 172.12119 Da
Monoisotopic Mass: 0.4
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]+	173.128466	139.5
[M+Na]+	195.110408	143.0
[M-H]-	171.113914	139.2
[M+NH4]+	190.155013	157.1
[M+K]+	211.084348	141.9
[M+H-H2O]+	155.118450	132.7
[M+HCOO]-	217.119391	157.9
[M+CH3COO]-	231.135041	177.0
[M+Na-2H]-	193.095856	143.8
[M]+	172.12064142	134.0
[M]-	172.12173858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe