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]+ 183.13796 132.9
[M+Na]+ 205.11990 137.7
[M-H]- 181.12340 138.6
[M+NH4]+ 200.16450 142.1
[M+K]+ 221.09384 142.3
[M+H-H2O]+ 165.12794 121.1
[M+HCOO]- 227.12888 149.9
[M+CH3COO]- 241.14453 194.5
[M+Na-2H]- 203.10535 138.7
[M]+ 182.13013 149.6
[M]- 182.13123 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.