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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 145.1
[M+Na]+ 229.11990 153.2
[M+NH4]+ 224.16450 151.2
[M+K]+ 245.09384 146.8
[M-H]- 205.12340 145.7
[M+Na-2H]- 227.10535 151.1
[M]+ 206.13013 145.4
[M]- 206.13123 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe