CID 49759624

Ethyl 2-methyl-2-(piperidin-4-yl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CCOC(=O)C(C)(C)C1CCNCC1

InChI

InChI=1S/C11H21NO2/c1-4-14-10(13)11(2,3)9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3

InChIKey

SXQUKTMPHDAHMN-UHFFFAOYSA-N

Compound name

ethyl 2-methyl-2-piperidin-4-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 199.15723 Da
Monoisotopic Mass: 1.7
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]+	200.164506	149.0
[M+Na]+	222.146448	152.5
[M-H]-	198.149954	148.6
[M+NH4]+	217.191053	166.0
[M+K]+	238.120388	151.2
[M+H-H2O]+	182.154490	142.9
[M+HCOO]-	244.155431	163.8
[M+CH3COO]-	258.171081	182.1
[M+Na-2H]-	220.131896	152.2
[M]+	199.15668142	145.0
[M]-	199.15777858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe