CID 11984242

Ethyl 3-(4-oxopiperidin-1-yl)propanoate

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CCOC(=O)CCN1CCC(=O)CC1

InChI

InChI=1S/C10H17NO3/c1-2-14-10(13)5-8-11-6-3-9(12)4-7-11/h2-8H2,1H3

InChIKey

KYBGYVYGAHECAE-UHFFFAOYSA-N

Compound name

ethyl 3-(4-oxopiperidin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 199.12085 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]+	200.12813	144.9
[M+Na]+	222.11007	150.0
[M-H]-	198.11357	146.1
[M+NH4]+	217.15467	162.6
[M+K]+	238.08401	149.3
[M+H-H2O]+	182.11811	138.1
[M+HCOO]-	244.11905	163.5
[M+CH3COO]-	258.13470	183.7
[M+Na-2H]-	220.09552	147.7
[M]+	199.12030	144.0
[M]-	199.12140	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe