CID 82059

2,4,6-triisopropyl-1,3,5-trioxane

Structural Information

Molecular Formula
C12H24O3
SMILES
CC(C)C1OC(OC(O1)C(C)C)C(C)C
InChI
InChI=1S/C12H24O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-12H,1-6H3
InChIKey
XYIANCZIPATGDH-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)-1,3,5-trioxane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

471
Patents

216.17255 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 155.4
[M+Na]+ 239.16177 159.9
[M-H]- 215.16527 160.3
[M+NH4]+ 234.20637 170.3
[M+K]+ 255.13571 163.4
[M+H-H2O]+ 199.16981 149.8
[M+HCOO]- 261.17075 169.5
[M+CH3COO]- 275.18640 193.2
[M+Na-2H]- 237.14722 156.8
[M]+ 216.17200 157.2
[M]- 216.17310 157.2
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.