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
2
Annotation Hits

0
References

26
Patents

200.17763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 147.6
[M+Na]+ 223.166848 153.1
[M-H]- 199.170354 152.2
[M+NH4]+ 218.211453 166.7
[M+K]+ 239.140788 155.4
[M+H-H2O]+ 183.174890 143.2
[M+HCOO]- 245.175831 163.4
[M+CH3COO]- 259.191481 189.3
[M+Na-2H]- 221.152296 150.8
[M]+ 200.17708142 148.3
[M]- 200.17817858 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