CID 44152583

93963-33-8

Structural Information

Molecular Formula
C14H26O2
SMILES
CCC(C)(C)C1CCC2(CC1)OCC(O2)C
InChI
InChI=1S/C14H26O2/c1-5-13(3,4)12-6-8-14(9-7-12)15-10-11(2)16-14/h11-12H,5-10H2,1-4H3
InChIKey
NMAGDJUSQTVMCT-UHFFFAOYSA-N
Compound name
3-methyl-8-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.19328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 154.3
[M+Na]+ 249.182498 158.9
[M-H]- 225.186004 160.2
[M+NH4]+ 244.227103 174.1
[M+K]+ 265.156438 159.5
[M+H-H2O]+ 209.190540 149.9
[M+HCOO]- 271.191481 169.2
[M+CH3COO]- 285.207131 189.4
[M+Na-2H]- 247.167946 158.9
[M]+ 226.19273142 152.1
[M]- 226.19382858 152.1
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

No patent data available for this compound.