CID 13003460

Ethyl 1-methyl-3-oxopiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CCOC(=O)C1CCN(CC1=O)C

InChI

InChI=1S/C9H15NO3/c1-3-13-9(12)7-4-5-10(2)6-8(7)11/h7H,3-6H2,1-2H3

InChIKey

XLBIKRRKMNWZIG-UHFFFAOYSA-N

Compound name

ethyl 1-methyl-3-oxopiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 185.1052 Da
Monoisotopic Mass: 0.7
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]+	186.11248	141.0
[M+Na]+	208.09442	151.1
[M+NH4]+	203.13902	147.8
[M+K]+	224.06836	146.4
[M-H]-	184.09792	140.8
[M+Na-2H]-	206.07987	144.1
[M]+	185.10465	142.0
[M]-	185.10575	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe