CID 18821

5,5-diethyl-1,3-dioxane

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC1(COCOC1)CC
InChI
InChI=1S/C8H16O2/c1-3-8(4-2)5-9-7-10-6-8/h3-7H2,1-2H3
InChIKey
PXZBONIIVQBUBP-UHFFFAOYSA-N
Compound name
5,5-diethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

144.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 130.5
[M+Na]+ 167.104258 136.2
[M-H]- 143.107764 134.9
[M+NH4]+ 162.148863 151.2
[M+K]+ 183.078198 138.6
[M+H-H2O]+ 127.112300 125.9
[M+HCOO]- 189.113241 149.7
[M+CH3COO]- 203.128891 173.1
[M+Na-2H]- 165.089706 139.5
[M]+ 144.11449142 130.2
[M]- 144.11558858 130.2
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

patents stripe