CID 643466

Ethyl 1-piperidineacetate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)CN1CCCCC1

InChI

InChI=1S/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1H3

InChIKey

LXZHLNWWDDNIOJ-UHFFFAOYSA-N

Compound name

ethyl 2-piperidin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 399
Patents: 171.12593 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]+	172.13321	139.8
[M+Na]+	194.11515	149.6
[M+NH4]+	189.15975	147.5
[M+K]+	210.08909	144.0
[M-H]-	170.11865	140.3
[M+Na-2H]-	192.10060	143.9
[M]+	171.12538	141.0
[M]-	171.12648	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe