CID 643466

Ethyl piperidin-1-ylacetate

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: 500
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]+	172.133206	139.6
[M+Na]+	194.115148	143.9
[M-H]-	170.118654	140.6
[M+NH4]+	189.159753	158.3
[M+K]+	210.089088	143.6
[M+H-H2O]+	154.123190	132.8
[M+HCOO]-	216.124131	158.1
[M+CH3COO]-	230.139781	178.4
[M+Na-2H]-	192.100596	143.5
[M]+	171.12538142	137.2
[M]-	171.12647858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe