CID 213471

O-(3-pyrrolidinylpropoxy)phenyl o-tolyl ether hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CC1=CC=CC=C1OC2=CC=CC=C2OCCCN3CCCC3

InChI

InChI=1S/C20H25NO2/c1-17-9-2-3-10-18(17)23-20-12-5-4-11-19(20)22-16-8-15-21-13-6-7-14-21/h2-5,9-12H,6-8,13-16H2,1H3

InChIKey

ODMFPCULQRADCO-UHFFFAOYSA-N

Compound name

1-[3-[2-(2-methylphenoxy)phenoxy]propyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 311.18854 Da
Monoisotopic Mass: 4.7
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]+	312.195816	175.8
[M+Na]+	334.177758	180.6
[M-H]-	310.181264	183.2
[M+NH4]+	329.222363	190.3
[M+K]+	350.151698	176.2
[M+H-H2O]+	294.185800	166.1
[M+HCOO]-	356.186741	196.5
[M+CH3COO]-	370.202391	205.2
[M+Na-2H]-	332.163206	176.8
[M]+	311.18799142	176.2
[M]-	311.18908858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe