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]+ 213.18491 149.8
[M+Na]+ 235.16685 154.9
[M-H]- 211.17035 155.9
[M+NH4]+ 230.21145 170.3
[M+K]+ 251.14079 155.8
[M+H-H2O]+ 195.17489 145.7
[M+HCOO]- 257.17583 165.1
[M+CH3COO]- 271.19148 185.7
[M+Na-2H]- 233.15230 154.9
[M]+ 212.17708 147.2
[M]- 212.17818 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