CID 154577263

3-(benzyloxy)bicyclo[3.2.0]heptan-6-ol

Structural Information

Molecular Formula
C14H18O2
SMILES
C1C2CC(C2CC1OCC3=CC=CC=C3)O
InChI
InChI=1S/C14H18O2/c15-14-7-11-6-12(8-13(11)14)16-9-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2
InChIKey
SHKMKEPNKHVTQP-UHFFFAOYSA-N
Compound name
3-phenylmethoxybicyclo[3.2.0]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 143.4
[M+Na]+ 241.11990 148.7
[M-H]- 217.12340 149.4
[M+NH4]+ 236.16450 157.7
[M+K]+ 257.09384 148.4
[M+H-H2O]+ 201.12794 133.0
[M+HCOO]- 263.12888 162.9
[M+CH3COO]- 277.14453 189.3
[M+Na-2H]- 239.10535 146.8
[M]+ 218.13013 150.9
[M]- 218.13123 150.9
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

No patent data available for this compound.