CID 66366274

3-(benzyloxy)-2,2-dimethylcyclobutan-1-ol

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

CC1(C(CC1OCC2=CC=CC=C2)O)C

InChI

InChI=1S/C13H18O2/c1-13(2)11(14)8-12(13)15-9-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3

InChIKey

BJKWKWODHKPZTO-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.13068 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]+	207.137956	144.7
[M+Na]+	229.119898	151.2
[M-H]-	205.123404	150.3
[M+NH4]+	224.164503	158.9
[M+K]+	245.093838	151.7
[M+H-H2O]+	189.127940	134.6
[M+HCOO]-	251.128881	165.2
[M+CH3COO]-	265.144531	188.0
[M+Na-2H]-	227.105346	149.7
[M]+	206.13013142	153.9
[M]-	206.13122858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe