CID 74605

1838-39-7

Structural Information

Molecular Formula

C₁₂H₂₁NO₄

SMILES

CCOC(=O)CN1CCC(CC1)C(=O)OCC

InChI

InChI=1S/C12H21NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3

InChIKey

OBXXSRPAQLOXJN-UHFFFAOYSA-N

Compound name

ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 243.14706 Da
Monoisotopic Mass: 1.3
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]+	244.15434	157.1
[M+Na]+	266.13628	165.4
[M+NH4]+	261.18088	162.7
[M+K]+	282.11022	161.2
[M-H]-	242.13978	156.0
[M+Na-2H]-	264.12173	158.9
[M]+	243.14651	157.5
[M]-	243.14761	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe