CID 110191

68400-54-4

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

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

InChI

InChI=1S/C14H20O2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4,5)16/h6-9,16H,1-5H3

InChIKey

JHXJMPVUVKIGKC-UHFFFAOYSA-N

Compound name

1-(4-tert-butylphenyl)-2-hydroxy-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 670
Patents: 220.14633 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]+	221.15361	152.4
[M+Na]+	243.13555	163.4
[M+NH4]+	238.18015	159.6
[M+K]+	259.10949	158.9
[M-H]-	219.13905	152.5
[M+Na-2H]-	241.12100	157.6
[M]+	220.14578	154.1
[M]-	220.14688	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe