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]+ 217.12232 141.4
[M+Na]+ 239.10426 147.4
[M-H]- 215.10776 148.7
[M+NH4]+ 234.14886 156.4
[M+K]+ 255.07820 147.4
[M+H-H2O]+ 199.11230 130.8
[M+HCOO]- 261.11324 162.5
[M+CH3COO]- 275.12889 191.0
[M+Na-2H]- 237.08971 145.3
[M]+ 216.11449 149.9
[M]- 216.11559 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.