CID 112488

1,4-dioxaspiro[4.5]decane, 8-(1,1-dimethylethyl)-2-methyl-

Structural Information

Molecular Formula
C13H24O2
SMILES
CC1COC2(O1)CCC(CC2)C(C)(C)C
InChI
InChI=1S/C13H24O2/c1-10-9-14-13(15-10)7-5-11(6-8-13)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKey
HFFWINBWALELJR-UHFFFAOYSA-N
Compound name
8-tert-butyl-3-methyl-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 149.8
[M+Na]+ 235.166848 154.9
[M-H]- 211.170354 155.9
[M+NH4]+ 230.211453 170.3
[M+K]+ 251.140788 155.8
[M+H-H2O]+ 195.174890 145.7
[M+HCOO]- 257.175831 165.1
[M+CH3COO]- 271.191481 185.7
[M+Na-2H]- 233.152296 154.9
[M]+ 212.17708142 147.2
[M]- 212.17817858 147.2
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