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]+ 227.200556 154.1
[M+Na]+ 249.182498 157.8
[M-H]- 225.186004 159.8
[M+NH4]+ 244.227103 172.0
[M+K]+ 265.156438 158.9
[M+H-H2O]+ 209.190540 148.7
[M+HCOO]- 271.191481 166.9
[M+CH3COO]- 285.207131 189.2
[M+Na-2H]- 247.167946 160.0
[M]+ 226.19273142 149.7
[M]- 226.19382858 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.