CID 106251

4-methyl-2-(1-methylpropyl)-1,3-dioxane

Structural Information

Molecular Formula
C9H18O2
SMILES
CCC(C)C1OCCC(O1)C
InChI
InChI=1S/C9H18O2/c1-4-7(2)9-10-6-5-8(3)11-9/h7-9H,4-6H2,1-3H3
InChIKey
FPTZRJSOBHEGPH-UHFFFAOYSA-N
Compound name
2-butan-2-yl-4-methyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 136.6
[M+Na]+ 181.119898 141.8
[M-H]- 157.123404 140.9
[M+NH4]+ 176.164503 155.1
[M+K]+ 197.093838 143.9
[M+H-H2O]+ 141.127940 131.3
[M+HCOO]- 203.128881 154.5
[M+CH3COO]- 217.144531 178.5
[M+Na-2H]- 179.105346 141.9
[M]+ 158.13013142 136.1
[M]- 158.13122858 136.1
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.