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]+ 219.137956 143.4
[M+Na]+ 241.119898 148.7
[M-H]- 217.123404 149.4
[M+NH4]+ 236.164503 157.7
[M+K]+ 257.093838 148.4
[M+H-H2O]+ 201.127940 133.0
[M+HCOO]- 263.128881 162.9
[M+CH3COO]- 277.144531 189.3
[M+Na-2H]- 239.105346 146.8
[M]+ 218.13013142 150.9
[M]- 218.13122858 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.