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]+ 217.12232 135.3
[M+Na]+ 239.10426 140.2
[M-H]- 215.10776 143.3
[M+NH4]+ 234.14886 142.8
[M+K]+ 255.07820 143.3
[M+H-H2O]+ 199.11230 121.0
[M+HCOO]- 261.11324 154.4
[M+CH3COO]- 275.12889 198.8
[M+Na-2H]- 237.08971 141.4
[M]+ 216.11449 151.2
[M]- 216.11559 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.