CID 193049

24622-71-7

Structural Information

Molecular Formula

C₁₆H₂₅NO

SMILES

CC(C)COC(CN1CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C16H25NO/c1-14(2)13-18-16(12-17-10-6-7-11-17)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3

InChIKey

KTPQTZSTSZIECR-UHFFFAOYSA-N

Compound name

1-[2-(2-methylpropoxy)-2-phenylethyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 247.19362 Da
Monoisotopic Mass: 3.2
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	162.8
[M+Na]+	270.18284	165.7
[M-H]-	246.18634	166.6
[M+NH4]+	265.22744	179.8
[M+K]+	286.15678	163.3
[M+H-H2O]+	230.19088	154.4
[M+HCOO]-	292.19182	181.2
[M+CH3COO]-	306.20747	195.0
[M+Na-2H]-	268.16829	162.6
[M]+	247.19307	161.1
[M]-	247.19417	161.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.