CID 97618763

1707586-69-3

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

C1C(CC1CO)CC2=CC=CC=C2

InChI

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

InChIKey

SIBCXWFKMLOSKE-UHFFFAOYSA-N

Compound name

(3-benzylcyclobutyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.12012 Da
Monoisotopic Mass: 2.5
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	136.7
[M+Na]+	199.10934	145.0
[M+NH4]+	194.15394	142.2
[M+K]+	215.08328	139.8
[M-H]-	175.11284	137.8
[M+Na-2H]-	197.09479	142.2
[M]+	176.11957	137.1
[M]-	176.12067	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.