CID 10397396

1-(2,6-dimethylphenoxy)-2-propanol

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

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

InChI

InChI=1S/C11H16O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10,12H,7H2,1-3H3

InChIKey

QFOWJPBDGSGFEJ-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylphenoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 180.11504 Da
Monoisotopic Mass: 2.4
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]+	181.12232	139.4
[M+Na]+	203.10426	152.0
[M+NH4]+	198.14886	147.8
[M+K]+	219.07820	146.0
[M-H]-	179.10776	141.2
[M+Na-2H]-	201.08971	145.5
[M]+	180.11449	141.7
[M]-	180.11559	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe