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 144.7
[M+Na]+ 229.11990 151.2
[M-H]- 205.12340 150.3
[M+NH4]+ 224.16450 158.9
[M+K]+ 245.09384 151.7
[M+H-H2O]+ 189.12794 134.6
[M+HCOO]- 251.12888 165.2
[M+CH3COO]- 265.14453 188.0
[M+Na-2H]- 227.10535 149.7
[M]+ 206.13013 153.9
[M]- 206.13123 153.9
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