CID 71440615

Dtxsid901251700

Structural Information

Molecular Formula
C15H18O2
SMILES
C1CCC2(C(=CC3=CC=CC=C3)C1)OCCO2
InChI
InChI=1S/C15H18O2/c1-2-6-13(7-3-1)12-14-8-4-5-9-15(14)16-10-11-17-15/h1-3,6-7,12H,4-5,8-11H2
InChIKey
WSTQUIZIWKMGSP-UHFFFAOYSA-N
Compound name
6-benzylidene-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.137956 152.9
[M+Na]+ 253.119898 157.5
[M-H]- 229.123404 161.7
[M+NH4]+ 248.164503 171.5
[M+K]+ 269.093838 156.2
[M+H-H2O]+ 213.127940 146.2
[M+HCOO]- 275.128881 170.7
[M+CH3COO]- 289.144531 164.7
[M+Na-2H]- 251.105346 158.0
[M]+ 230.13013142 147.6
[M]- 230.13122858 147.6
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.