CID 20524006

4-cyclobutylphenol

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C1CC(C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C10H12O/c11-10-6-4-9(5-7-10)8-2-1-3-8/h4-8,11H,1-3H2

InChIKey

XMXPDEJQBGESQI-UHFFFAOYSA-N

Compound name

4-cyclobutylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 148.08882 Da
Monoisotopic Mass: 3.1
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]+	149.09610	127.6
[M+Na]+	171.07804	136.3
[M+NH4]+	166.12264	133.4
[M+K]+	187.05198	131.6
[M-H]-	147.08154	128.8
[M+Na-2H]-	169.06349	133.7
[M]+	148.08827	128.0
[M]-	148.08937	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe