CID 3044630

4-piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, ethyl ester, ethanedioate (1:2)

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₂

SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N

InChI

InChI=1S/C15H22N2O2/c1-2-19-14(18)15(16)8-10-17(11-9-15)12-13-6-4-3-5-7-13/h3-7H,2,8-12,16H2,1H3

InChIKey

MTJUAKNERUGVGA-UHFFFAOYSA-N

Compound name

ethyl 4-amino-1-benzylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 262.16812 Da
Monoisotopic Mass: 1.4
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]+	263.175396	163.2
[M+Na]+	285.157338	167.3
[M-H]-	261.160844	166.9
[M+NH4]+	280.201943	179.4
[M+K]+	301.131278	164.5
[M+H-H2O]+	245.165380	155.0
[M+HCOO]-	307.166321	181.6
[M+CH3COO]-	321.181971	197.1
[M+Na-2H]-	283.142786	166.3
[M]+	262.16757142	159.3
[M]-	262.16866858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe