CID 104406

Ethyl 1-piperidineglyoxylate

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CCOC(=O)C(=O)N1CCCCC1

InChI

InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3

InChIKey

ASBDXHCMVYVJQQ-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-2-piperidin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 185.1052 Da
Monoisotopic Mass: 1.2
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]+	186.112476	141.4
[M+Na]+	208.094418	145.9
[M-H]-	184.097924	142.7
[M+NH4]+	203.139023	159.5
[M+K]+	224.068358	146.0
[M+H-H2O]+	168.102460	134.8
[M+HCOO]-	230.103401	159.5
[M+CH3COO]-	244.119051	179.1
[M+Na-2H]-	206.079866	144.3
[M]+	185.10465142	139.0
[M]-	185.10574858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe