CID 3080846

Ethylphenidate

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CCOC(=O)C(C1CCCCN1)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3

InChIKey

AIVSIRYZIBXTMM-UHFFFAOYSA-N

Compound name

ethyl 2-phenyl-2-piperidin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 35
References: 369
Patents: 247.15723 Da
Monoisotopic Mass: 0.6
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]+	248.16451	159.7
[M+Na]+	270.14645	162.0
[M-H]-	246.14995	162.0
[M+NH4]+	265.19105	173.9
[M+K]+	286.12039	158.9
[M+H-H2O]+	230.15449	151.4
[M+HCOO]-	292.15543	175.2
[M+CH3COO]-	306.17108	190.4
[M+Na-2H]-	268.13190	161.3
[M]+	247.15668	154.2
[M]-	247.15778	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe