CID 71742394

3-benzylcyclobutanol

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C1C(CC1O)CC2=CC=CC=C2

InChI

InChI=1S/C11H14O/c12-11-7-10(8-11)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChIKey

BWMAGQUALUZHSB-UHFFFAOYSA-N

Compound name

3-benzylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.10446 Da
Monoisotopic Mass: 2.3
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]+	163.11174	132.2
[M+Na]+	185.09368	140.7
[M+NH4]+	180.13828	137.8
[M+K]+	201.06762	135.7
[M-H]-	161.09718	133.3
[M+Na-2H]-	183.07913	137.9
[M]+	162.10391	132.6
[M]-	162.10501	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.