CID 218993

41457-18-5

Structural Information

Molecular Formula

C₁₉H₃₁NO₂

SMILES

CC1(CCC(N1CC(COCCC2=CC=CC=C2)O)(C)C)C

InChI

InChI=1S/C19H31NO2/c1-18(2)11-12-19(3,4)20(18)14-17(21)15-22-13-10-16-8-6-5-7-9-16/h5-9,17,21H,10-15H2,1-4H3

InChIKey

KMIRUPWDNWYLKH-UHFFFAOYSA-N

Compound name

1-(2-phenylethoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.23547 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]+	306.242746	175.6
[M+Na]+	328.224688	180.9
[M-H]-	304.228194	179.0
[M+NH4]+	323.269293	194.4
[M+K]+	344.198628	177.5
[M+H-H2O]+	288.232730	169.0
[M+HCOO]-	350.233671	192.9
[M+CH3COO]-	364.249321	203.9
[M+Na-2H]-	326.210136	176.0
[M]+	305.23492142	176.8
[M]-	305.23601858	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe