CID 121552918

3-(tert-butoxy)spiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C11H18O2
SMILES
CC(C)(C)OC1CC(=O)C12CCC2
InChI
InChI=1S/C11H18O2/c1-10(2,3)13-9-7-8(12)11(9)5-4-6-11/h9H,4-7H2,1-3H3
InChIKey
DSQCGXGHJZTQEE-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 132.9
[M+Na]+ 205.119898 137.7
[M-H]- 181.123404 138.6
[M+NH4]+ 200.164503 142.1
[M+K]+ 221.093838 142.3
[M+H-H2O]+ 165.127940 121.1
[M+HCOO]- 227.128881 149.9
[M+CH3COO]- 241.144531 194.5
[M+Na-2H]- 203.105346 138.7
[M]+ 182.13013142 149.6
[M]- 182.13122858 149.6
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.