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]+ 159.13796 136.6
[M+Na]+ 181.11990 141.8
[M-H]- 157.12340 140.9
[M+NH4]+ 176.16450 155.1
[M+K]+ 197.09384 143.9
[M+H-H2O]+ 141.12794 131.3
[M+HCOO]- 203.12888 154.5
[M+CH3COO]- 217.14453 178.5
[M+Na-2H]- 179.10535 141.9
[M]+ 158.13013 136.1
[M]- 158.13123 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.