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

4
Patents

244.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.153606 151.5
[M+Na]+ 267.135548 155.6
[M-H]- 243.139054 159.1
[M+NH4]+ 262.180153 164.3
[M+K]+ 283.109488 155.5
[M+H-H2O]+ 227.143590 139.6
[M+HCOO]- 289.144531 169.9
[M+CH3COO]- 303.160181 194.6
[M+Na-2H]- 265.120996 156.3
[M]+ 244.14578142 156.4
[M]- 244.14687858 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

patents stripe