CID 881142

9-(1,1-dimethylethyl)-1,5-dioxaspiro(5.5)undecane

Structural Information

Molecular Formula
C13H24O2
SMILES
CC(C)(C)C1CCC2(CC1)OCCCO2
InChI
InChI=1S/C13H24O2/c1-12(2,3)11-5-7-13(8-6-11)14-9-4-10-15-13/h11H,4-10H2,1-3H3
InChIKey
DVDNSLYHRDSWHW-UHFFFAOYSA-N
Compound name
9-tert-butyl-1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 150.1
[M+Na]+ 235.166848 153.3
[M-H]- 211.170354 155.6
[M+NH4]+ 230.211453 168.3
[M+K]+ 251.140788 154.6
[M+H-H2O]+ 195.174890 144.6
[M+HCOO]- 257.175831 163.2
[M+CH3COO]- 271.191481 185.0
[M+Na-2H]- 233.152296 157.1
[M]+ 212.17708142 144.9
[M]- 212.17817858 144.9
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

patents stripe