CID 146050261

2413848-17-4

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 145.5
[M+Na]+ 239.10426 152.9
[M+NH4]+ 234.14886 151.0
[M+K]+ 255.07820 149.4
[M-H]- 215.10776 146.3
[M+Na-2H]- 237.08971 148.9
[M]+ 216.11449 145.5
[M]- 216.11559 145.5
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.