CID 112651

1,5-dioxaspiro[5.5]undecane, 9-(1,1-dimethylethyl)-2-methyl-

Structural Information

Molecular Formula
C14H26O2
SMILES
CC1CCOC2(O1)CCC(CC2)C(C)(C)C
InChI
InChI=1S/C14H26O2/c1-11-7-10-15-14(16-11)8-5-12(6-9-14)13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKey
YXVMHTMPUCZZEW-UHFFFAOYSA-N
Compound name
9-tert-butyl-4-methyl-1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

226.19328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 154.1
[M+Na]+ 249.18250 157.8
[M-H]- 225.18600 159.8
[M+NH4]+ 244.22710 172.0
[M+K]+ 265.15644 158.9
[M+H-H2O]+ 209.19054 148.7
[M+HCOO]- 271.19148 166.9
[M+CH3COO]- 285.20713 189.2
[M+Na-2H]- 247.16795 160.0
[M]+ 226.19273 149.7
[M]- 226.19383 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.