CID 200305

1507-34-2

Structural Information

Molecular Formula

C₁₇H₂₇NO

SMILES

CCCC1(CCN(C1CC)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C17H27NO/c1-5-10-17(11-12-18(3)16(17)6-2)14-8-7-9-15(13-14)19-4/h7-9,13,16H,5-6,10-12H2,1-4H3

InChIKey

SBODZVKCNCAKIU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.20926 Da
Monoisotopic Mass: 4.5
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]+	262.216536	163.7
[M+Na]+	284.198478	170.6
[M-H]-	260.201984	168.8
[M+NH4]+	279.243083	183.4
[M+K]+	300.172418	167.3
[M+H-H2O]+	244.206520	156.6
[M+HCOO]-	306.207461	184.0
[M+CH3COO]-	320.223111	199.2
[M+Na-2H]-	282.183926	164.7
[M]+	261.20871142	165.2
[M]-	261.20980858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.