CID 200586

69551-93-5

Structural Information

Molecular Formula

C₁₆H₂₅NO

SMILES

CCCC1(CCN(C1)CC)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H25NO/c1-4-9-16(10-11-17(5-2)13-16)14-7-6-8-15(12-14)18-3/h6-8,12H,4-5,9-11,13H2,1-3H3

InChIKey

FRQRAKOYAOYKMF-UHFFFAOYSA-N

Compound name

1-ethyl-3-(3-methoxyphenyl)-3-propylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 247.19362 Da
Monoisotopic Mass: 3.9
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]+	248.20090	161.2
[M+Na]+	270.18284	173.1
[M+NH4]+	265.22744	171.2
[M+K]+	286.15678	165.0
[M-H]-	246.18634	164.6
[M+Na-2H]-	268.16829	168.8
[M]+	247.19307	164.0
[M]-	247.19417	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe