CID 172640801

Dtxsid901365802

Structural Information

Molecular Formula
C17H28O
SMILES
CC(C)(C)C1=CC2(CCCO2)C=C(C1)C(C)(C)C
InChI
InChI=1S/C17H28O/c1-15(2,3)13-10-14(16(4,5)6)12-17(11-13)8-7-9-18-17/h11-12H,7-10H2,1-6H3
InChIKey
ULJYOVRPCHLVNC-UHFFFAOYSA-N
Compound name
7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.21402 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 160.6
[M+Na]+ 271.203238 166.7
[M-H]- 247.206744 166.7
[M+NH4]+ 266.247843 181.4
[M+K]+ 287.177178 165.3
[M+H-H2O]+ 231.211280 156.4
[M+HCOO]- 293.212221 176.8
[M+CH3COO]- 307.227871 194.6
[M+Na-2H]- 269.188686 165.7
[M]+ 248.21347142 159.8
[M]- 248.21456858 159.8
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.