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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.13796	151.9
[M+Na]+	253.11990	155.1
[M+NH4]+	248.16450	154.2
[M+K]+	269.09384	150.5
[M-H]-	229.12340	150.9
[M+Na-2H]-	251.10535	155.4
[M]+	230.13013	150.1
[M]-	230.13123	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe