CID 31451

22644-54-8

Structural Information

Molecular Formula
C12H24O3
SMILES
CC(C)C1OCC(CO1)(C)COC(C)C
InChI
InChI=1S/C12H24O3/c1-9(2)11-14-7-12(5,8-15-11)6-13-10(3)4/h9-11H,6-8H2,1-5H3
InChIKey
BIBPEWWZUOEEMJ-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-yl-5-(propan-2-yloxymethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17255 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 152.0
[M+Na]+ 239.16177 156.5
[M-H]- 215.16527 156.2
[M+NH4]+ 234.20637 170.1
[M+K]+ 255.13571 159.3
[M+H-H2O]+ 199.16981 147.1
[M+HCOO]- 261.17075 168.1
[M+CH3COO]- 275.18640 190.1
[M+Na-2H]- 237.14722 155.8
[M]+ 216.17200 153.8
[M]- 216.17310 153.8
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.