CID 21876130

3-phenylcyclobutanol

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C1C(CC1O)C2=CC=CC=C2

InChI

InChI=1S/C10H12O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2

InChIKey

BLLLZEOPEKUXEG-UHFFFAOYSA-N

Compound name

3-phenylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 148.08882 Da
Monoisotopic Mass: 1.8
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