CID 16292

2048-53-5

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-2-18-13(17)14(8-10-16(15)11-9-14)12-6-4-3-5-7-12/h3-7H,2,8-11,15H2,1H3

InChIKey

NBQFAFOWKALMME-UHFFFAOYSA-N

Compound name

ethyl 1-amino-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 248.15248 Da
Monoisotopic Mass: 1.7
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]+	249.159756	158.7
[M+Na]+	271.141698	163.3
[M-H]-	247.145204	162.7
[M+NH4]+	266.186303	175.6
[M+K]+	287.115638	160.8
[M+H-H2O]+	231.149740	150.8
[M+HCOO]-	293.150681	177.6
[M+CH3COO]-	307.166331	194.0
[M+Na-2H]-	269.127146	162.4
[M]+	248.15193142	154.5
[M]-	248.15302858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe