CID 154577675

1-(benzyloxy)spiro[3.3]heptan-2-one

Structural Information

Molecular Formula
C14H16O2
SMILES
C1CC2(C1)CC(=O)C2OCC3=CC=CC=C3
InChI
InChI=1S/C14H16O2/c15-12-9-14(7-4-8-14)13(12)16-10-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKey
ZDLNLQUHADFBFA-UHFFFAOYSA-N
Compound name
3-phenylmethoxyspiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 135.3
[M+Na]+ 239.104258 140.2
[M-H]- 215.107764 143.3
[M+NH4]+ 234.148863 142.8
[M+K]+ 255.078198 143.3
[M+H-H2O]+ 199.112300 121.0
[M+HCOO]- 261.113241 154.4
[M+CH3COO]- 275.128891 198.8
[M+Na-2H]- 237.089706 141.4
[M]+ 216.11449142 151.2
[M]- 216.11558858 151.2
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.