CID 71911

Amixetrine

Structural Information

Molecular Formula

C₁₇H₂₇NO

SMILES

CC(C)CCOC(CN1CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H27NO/c1-15(2)10-13-19-17(14-18-11-6-7-12-18)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3

InChIKey

ISRODTBNJUAWEJ-UHFFFAOYSA-N

Compound name

1-[2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5790
Patents: 261.20926 Da
Monoisotopic Mass: 3.6
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	167.4
[M+Na]+	284.198478	169.9
[M-H]-	260.201984	171.0
[M+NH4]+	279.243083	183.8
[M+K]+	300.172418	167.2
[M+H-H2O]+	244.206520	158.8
[M+HCOO]-	306.207461	185.5
[M+CH3COO]-	320.223111	198.0
[M+Na-2H]-	282.183926	166.7
[M]+	261.20871142	166.0
[M]-	261.20980858	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe