CID 146050261

Rac-(1r,3s,5r)-3-(benzyloxy)bicyclo[3.2.0]heptan-6-one

Structural Information

Molecular Formula
C14H16O2
SMILES
C1[C@H](C[C@H]2[C@@H]1CC2=O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H16O2/c15-14-7-11-6-12(8-13(11)14)16-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12+,13-/m0/s1
InChIKey
CYHVPABIJSPDLP-XQQFMLRXSA-N
Compound name
(1S,3R,5S)-3-phenylmethoxybicyclo[3.2.0]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 141.4
[M+Na]+ 239.104258 147.4
[M-H]- 215.107764 148.7
[M+NH4]+ 234.148863 156.4
[M+K]+ 255.078198 147.4
[M+H-H2O]+ 199.112300 130.8
[M+HCOO]- 261.113241 162.5
[M+CH3COO]- 275.128891 191.0
[M+Na-2H]- 237.089706 145.3
[M]+ 216.11449142 149.9
[M]- 216.11558858 149.9
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.