CID 218962

41456-75-1

Structural Information

Molecular Formula

C₁₉H₂₉NO₂

SMILES

CC1=CC(=CC=C1)OCC(CN2C(CC=CC2(C)C)(C)C)O

InChI

InChI=1S/C19H29NO2/c1-15-8-6-9-17(12-15)22-14-16(21)13-20-18(2,3)10-7-11-19(20,4)5/h6-10,12,16,21H,11,13-14H2,1-5H3

InChIKey

VRONGVAXPUUZHQ-UHFFFAOYSA-N

Compound name

1-(3-methylphenoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.21982 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]+	304.227096	173.6
[M+Na]+	326.209038	180.0
[M-H]-	302.212544	177.5
[M+NH4]+	321.253643	191.0
[M+K]+	342.182978	176.9
[M+H-H2O]+	286.217080	166.6
[M+HCOO]-	348.218021	190.2
[M+CH3COO]-	362.233671	205.3
[M+Na-2H]-	324.194486	175.8
[M]+	303.21927142	174.5
[M]-	303.22036858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.