CID 3019715

84145-26-6

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CC(C)OC(=O)C1(CCNCC1)C2=CC=CC=C2

InChI

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

InChIKey

JAAXADBRAMYOQN-UHFFFAOYSA-N

Compound name

propan-2-yl 4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 247.15723 Da
Monoisotopic Mass: 2.4
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]+	248.164506	160.2
[M+Na]+	270.146448	163.5
[M-H]-	246.149954	162.9
[M+NH4]+	265.191053	176.6
[M+K]+	286.120388	160.8
[M+H-H2O]+	230.154490	152.6
[M+HCOO]-	292.155431	175.7
[M+CH3COO]-	306.171081	189.9
[M+Na-2H]-	268.131896	162.9
[M]+	247.15668142	155.1
[M]-	247.15777858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe