CID 49759622

102943-18-0

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CCOC(=O)CC1CCNC(=O)C1

InChI

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

InChIKey

SFBMPNSYLYPQDF-UHFFFAOYSA-N

Compound name

ethyl 2-(2-oxopiperidin-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 185.1052 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]+	186.11248	141.2
[M+Na]+	208.09442	146.3
[M-H]-	184.09792	141.2
[M+NH4]+	203.13902	158.7
[M+K]+	224.06836	144.9
[M+H-H2O]+	168.10246	134.9
[M+HCOO]-	230.10340	158.6
[M+CH3COO]-	244.11905	178.1
[M+Na-2H]-	206.07987	144.0
[M]+	185.10465	138.0
[M]-	185.10575	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe