CID 13647237

79893-46-2

Structural Information

Molecular Formula

C₁₅H₂₁Cl₂NO₂

SMILES

CCN1CCCC1CCOC2=C(C(=CC(=C2)Cl)Cl)OC

InChI

InChI=1S/C15H21Cl2NO2/c1-3-18-7-4-5-12(18)6-8-20-14-10-11(16)9-13(17)15(14)19-2/h9-10,12H,3-8H2,1-2H3

InChIKey

DBARMDUSHJFUOJ-UHFFFAOYSA-N

Compound name

2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 317.09494 Da
Monoisotopic Mass: 4.4
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]+	318.102216	173.1
[M+Na]+	340.084158	181.7
[M-H]-	316.087664	177.4
[M+NH4]+	335.128763	189.8
[M+K]+	356.058098	176.0
[M+H-H2O]+	300.092200	166.4
[M+HCOO]-	362.093141	184.2
[M+CH3COO]-	376.108791	204.9
[M+Na-2H]-	338.069606	171.8
[M]+	317.09439142	178.2
[M]-	317.09548858	178.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe