CID 17195100

4-(2-chloro-5-methylphenoxy)piperidine

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

CC1=CC(=C(C=C1)Cl)OC2CCNCC2

InChI

InChI=1S/C12H16ClNO/c1-9-2-3-11(13)12(8-9)15-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3

InChIKey

MTMIZXIWQUAWTF-UHFFFAOYSA-N

Compound name

4-(2-chloro-5-methylphenoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 225.09204 Da
Monoisotopic Mass: 3.0
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]+	226.09932	149.2
[M+Na]+	248.08126	163.3
[M+NH4]+	243.12586	158.6
[M+K]+	264.05520	155.1
[M-H]-	224.08476	153.2
[M+Na-2H]-	246.06671	157.0
[M]+	225.09149	152.7
[M]-	225.09259	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe