CID 91213144

2-cyclobutyl-2-phenylethan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

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

InChI

InChI=1S/C12H16O/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2

InChIKey

FVYFUWLHTMATRJ-UHFFFAOYSA-N

Compound name

2-cyclobutyl-2-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 176.12012 Da
Monoisotopic Mass: 2.9
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]+	177.12740	138.0
[M+Na]+	199.10934	145.5
[M+NH4]+	194.15394	143.3
[M+K]+	215.08328	140.9
[M-H]-	175.11284	138.8
[M+Na-2H]-	197.09479	143.2
[M]+	176.11957	138.1
[M]-	176.12067	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe