CID 107113

3494-76-6

Structural Information

Molecular Formula
C12H24O2
SMILES
CC(C)C1C(COC(O1)C(C)C)(C)C
InChI
InChI=1S/C12H24O2/c1-8(2)10-12(5,6)7-13-11(14-10)9(3)4/h8-11H,7H2,1-6H3
InChIKey
SVYIRYSQKUXBPY-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2,4-di(propan-2-yl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

200.17763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 147.6
[M+Na]+ 223.16685 153.1
[M-H]- 199.17035 152.2
[M+NH4]+ 218.21145 166.7
[M+K]+ 239.14079 155.4
[M+H-H2O]+ 183.17489 143.2
[M+HCOO]- 245.17583 163.4
[M+CH3COO]- 259.19148 189.3
[M+Na-2H]- 221.15230 150.8
[M]+ 200.17708 148.3
[M]- 200.17818 148.3
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