CID 107113

2,4-diisopropyl-5,5-dimethyl-1,3-dioxane

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

14
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 148.0
[M+Na]+ 223.16685 158.7
[M+NH4]+ 218.21145 157.5
[M+K]+ 239.14079 152.5
[M-H]- 199.17035 152.2
[M+Na-2H]- 221.15230 152.0
[M]+ 200.17708 150.9
[M]- 200.17818 150.9
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