CID 165996786

7-(benzyloxy)spiro[3.5]nonan-2-one

Structural Information

Molecular Formula
C16H20O2
SMILES
C1CC2(CCC1OCC3=CC=CC=C3)CC(=O)C2
InChI
InChI=1S/C16H20O2/c17-14-10-16(11-14)8-6-15(7-9-16)18-12-13-4-2-1-3-5-13/h1-5,15H,6-12H2
InChIKey
YBGAYLOYFZDAOO-UHFFFAOYSA-N
Compound name
7-phenylmethoxyspiro[3.5]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15361 151.5
[M+Na]+ 267.13555 155.6
[M-H]- 243.13905 159.1
[M+NH4]+ 262.18015 164.3
[M+K]+ 283.10949 155.5
[M+H-H2O]+ 227.14359 139.6
[M+HCOO]- 289.14453 169.9
[M+CH3COO]- 303.16018 194.6
[M+Na-2H]- 265.12100 156.3
[M]+ 244.14578 156.4
[M]- 244.14688 156.4
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.