CID 106720

4-(2-methylbutoxy)phenol

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CCC(C)COC1=CC=C(C=C1)O

InChI

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

InChIKey

GCQBIYCSSJYFJX-UHFFFAOYSA-N

Compound name

4-(2-methylbutoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 180.11504 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]+	181.12232	139.9
[M+Na]+	203.10426	152.1
[M+NH4]+	198.14886	148.2
[M+K]+	219.07820	145.8
[M-H]-	179.10776	141.6
[M+Na-2H]-	201.08971	146.1
[M]+	180.11449	142.0
[M]-	180.11559	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe