CID 68314762

Isopropylphenidate

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

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

InChI

InChI=1S/C16H23NO2/c1-12(2)19-16(18)15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-5,8-9,12,14-15,17H,6-7,10-11H2,1-2H3

InChIKey

AZVPADMEIMLODT-UHFFFAOYSA-N

Compound name

propan-2-yl 2-phenyl-2-piperidin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 261.17288 Da
Monoisotopic Mass: 1.0
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]+	262.180156	164.1
[M+Na]+	284.162098	165.6
[M-H]-	260.165604	166.2
[M+NH4]+	279.206703	177.6
[M+K]+	300.136038	162.9
[M+H-H2O]+	244.170140	155.7
[M+HCOO]-	306.171081	178.2
[M+CH3COO]-	320.186731	194.3
[M+Na-2H]-	282.147546	164.0
[M]+	261.17233142	158.4
[M]-	261.17342858	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe