CID 59254034

934824-60-9

Structural Information

Molecular Formula
C15H18O2
SMILES
C1C(CC12CC(=O)C2)COCC3=CC=CC=C3
InChI
InChI=1S/C15H18O2/c16-14-8-15(9-14)6-13(7-15)11-17-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKey
KZXRMEVAKWRZSH-UHFFFAOYSA-N
Compound name
6-(phenylmethoxymethyl)spiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 139.7
[M+Na]+ 253.11990 144.3
[M-H]- 229.12340 147.6
[M+NH4]+ 248.16450 146.7
[M+K]+ 269.09384 147.2
[M+H-H2O]+ 213.12794 125.3
[M+HCOO]- 275.12888 158.5
[M+CH3COO]- 289.14453 201.4
[M+Na-2H]- 251.10535 145.3
[M]+ 230.13013 156.0
[M]- 230.13123 156.0
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