CID 10910953

16889-18-2

Structural Information

Molecular Formula
C12H24O3
SMILES
CC(C)C1C(C(OC(O1)C(C)C)O)(C)C
InChI
InChI=1S/C12H24O3/c1-7(2)9-12(5,6)11(13)15-10(14-9)8(3)4/h7-11,13H,1-6H3
InChIKey
ZMWJLHAYQAGTQE-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

216.17255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.179826 150.8
[M+Na]+ 239.161768 156.8
[M-H]- 215.165274 154.3
[M+NH4]+ 234.206373 168.7
[M+K]+ 255.135708 158.6
[M+H-H2O]+ 199.169810 146.7
[M+HCOO]- 261.170751 165.3
[M+CH3COO]- 275.186401 190.1
[M+Na-2H]- 237.147216 152.9
[M]+ 216.17200142 151.5
[M]- 216.17309858 151.5
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