CID 2724451

83863-72-3

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

CCOC(=O)N1CCC(=O)C(C1)OC

InChI

InChI=1S/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3

InChIKey

WDPDIPXYVCLBCI-UHFFFAOYSA-N

Compound name

ethyl 3-methoxy-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 201.10011 Da
Monoisotopic Mass: -0.1
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]+	202.10739	142.4
[M+Na]+	224.08933	148.9
[M-H]-	200.09283	144.3
[M+NH4]+	219.13393	160.4
[M+K]+	240.06327	149.0
[M+H-H2O]+	184.09737	136.0
[M+HCOO]-	246.09831	161.7
[M+CH3COO]-	260.11396	183.4
[M+Na-2H]-	222.07478	145.3
[M]+	201.09956	143.0
[M]-	201.10066	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe