CID 95959

5-methyl-2,5-dipropyl-1,3-dioxane

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCC1OCC(CO1)(C)CCC
InChI
InChI=1S/C11H22O2/c1-4-6-10-12-8-11(3,7-5-2)9-13-10/h10H,4-9H2,1-3H3
InChIKey
VOZFNVXRRIGFPH-UHFFFAOYSA-N
Compound name
5-methyl-2,5-dipropyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 143.7
[M+Na]+ 209.15121 149.1
[M-H]- 185.15471 147.9
[M+NH4]+ 204.19581 163.1
[M+K]+ 225.12515 150.7
[M+H-H2O]+ 169.15925 138.8
[M+HCOO]- 231.16019 161.9
[M+CH3COO]- 245.17584 183.3
[M+Na-2H]- 207.13666 150.4
[M]+ 186.16144 144.9
[M]- 186.16254 144.9
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.