CID 218966

41456-85-3

Structural Information

Molecular Formula

C₁₈H₂₉NO₂

SMILES

CC1=CC(=CC=C1)OCC(CN2C(CCC2(C)C)(C)C)O

InChI

InChI=1S/C18H29NO2/c1-14-7-6-8-16(11-14)21-13-15(20)12-19-17(2,3)9-10-18(19,4)5/h6-8,11,15,20H,9-10,12-13H2,1-5H3

InChIKey

ACMRATRNAPMWSD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 291.21982 Da
Monoisotopic Mass: 3.4
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]+	292.227096	169.8
[M+Na]+	314.209038	176.6
[M-H]-	290.212544	173.9
[M+NH4]+	309.253643	189.6
[M+K]+	330.182978	173.5
[M+H-H2O]+	274.217080	163.9
[M+HCOO]-	336.218021	187.5
[M+CH3COO]-	350.233671	202.2
[M+Na-2H]-	312.194486	170.3
[M]+	291.21927142	171.1
[M]-	291.22036858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe