CID 213390

O-(2-piperidino-1-methylethoxy)phenyl o-tolyl ether

Structural Information

Molecular Formula

C₂₁H₂₇NO₂

SMILES

CC1=CC=CC=C1OC2=CC=CC=C2OC(C)CN3CCCCC3

InChI

InChI=1S/C21H27NO2/c1-17-10-4-5-11-19(17)24-21-13-7-6-12-20(21)23-18(2)16-22-14-8-3-9-15-22/h4-7,10-13,18H,3,8-9,14-16H2,1-2H3

InChIKey

XXOBKJANUBJQMC-UHFFFAOYSA-N

Compound name

1-[2-[2-(2-methylphenoxy)phenoxy]propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.2042 Da
Monoisotopic Mass: 5.1
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]+	326.211476	180.6
[M+Na]+	348.193418	183.6
[M-H]-	324.196924	187.3
[M+NH4]+	343.238023	192.3
[M+K]+	364.167358	179.5
[M+H-H2O]+	308.201460	169.9
[M+HCOO]-	370.202401	197.5
[M+CH3COO]-	384.218051	209.6
[M+Na-2H]-	346.178866	181.6
[M]+	325.20365142	178.3
[M]-	325.20474858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.