CID 3057479

Pyrrolidine, 1-(3-(o-(p-chlorophenoxy)phenoxy)propyl)-, hydrochloride, hemihydrate

Structural Information

Molecular Formula

C₁₉H₂₂ClNO₂

SMILES

C1CCN(C1)CCCOC2=CC=CC=C2OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClNO2/c20-16-8-10-17(11-9-16)23-19-7-2-1-6-18(19)22-15-5-14-21-12-3-4-13-21/h1-2,6-11H,3-5,12-15H2

InChIKey

GNHFFJAOWXFBJO-UHFFFAOYSA-N

Compound name

1-[3-[2-(4-chlorophenoxy)phenoxy]propyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.1339 Da
Monoisotopic Mass: 4.9
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]+	332.141176	179.0
[M+Na]+	354.123118	185.0
[M-H]-	330.126624	186.2
[M+NH4]+	349.167723	193.5
[M+K]+	370.097058	179.0
[M+H-H2O]+	314.131160	169.6
[M+HCOO]-	376.132101	195.2
[M+CH3COO]-	390.147751	205.9
[M+Na-2H]-	352.108566	179.8
[M]+	331.13335142	181.2
[M]-	331.13444858	181.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.