CID 21428718

3-(p-tolyloxy)piperidine

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1=CC=C(C=C1)OC2CCCNC2

InChI

InChI=1S/C12H17NO/c1-10-4-6-11(7-5-10)14-12-3-2-8-13-9-12/h4-7,12-13H,2-3,8-9H2,1H3

InChIKey

XLKBIUMAMUGELV-UHFFFAOYSA-N

Compound name

3-(4-methylphenoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 191.13101 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]+	192.13829	144.4
[M+Na]+	214.12023	157.2
[M+NH4]+	209.16483	153.5
[M+K]+	230.09417	149.7
[M-H]-	190.12373	148.2
[M+Na-2H]-	212.10568	152.2
[M]+	191.13046	147.2
[M]-	191.13156	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe