CID 220038

2416-30-0

Structural Information

Molecular Formula

C₁₃H₂₀O₂

SMILES

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

InChI

InChI=1S/C13H20O2/c1-10(14)9-15-12-7-5-11(6-8-12)13(2,3)4/h5-8,10,14H,9H2,1-4H3

InChIKey

ZBMCOYJNWKBBCY-UHFFFAOYSA-N

Compound name

1-(4-tert-butylphenoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 208.14633 Da
Monoisotopic Mass: 3.3
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]+	209.15361	149.0
[M+Na]+	231.13555	160.5
[M+NH4]+	226.18015	156.8
[M+K]+	247.10949	155.0
[M-H]-	207.13905	150.0
[M+Na-2H]-	229.12100	154.6
[M]+	208.14578	150.9
[M]-	208.14688	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe