CID 3021002

Ethyl 1-butylpiperidine-2-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CCCCN1CCCCC1C(=O)OCC

InChI

InChI=1S/C12H23NO2/c1-3-5-9-13-10-7-6-8-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3

InChIKey

OAAXEKNPTNLHID-UHFFFAOYSA-N

Compound name

ethyl 1-butylpiperidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.17288 Da
Monoisotopic Mass: 2.7
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]+	214.180156	152.7
[M+Na]+	236.162098	156.7
[M-H]-	212.165604	153.6
[M+NH4]+	231.206703	170.0
[M+K]+	252.136038	155.6
[M+H-H2O]+	196.170140	145.7
[M+HCOO]-	258.171081	170.3
[M+CH3COO]-	272.186731	188.6
[M+Na-2H]-	234.147546	154.4
[M]+	213.17233142	151.8
[M]-	213.17342858	151.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.