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

57
Patents

144.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 130.5
[M+Na]+ 167.10426 136.2
[M-H]- 143.10776 134.9
[M+NH4]+ 162.14886 151.2
[M+K]+ 183.07820 138.6
[M+H-H2O]+ 127.11230 125.9
[M+HCOO]- 189.11324 149.7
[M+CH3COO]- 203.12889 173.1
[M+Na-2H]- 165.08971 139.5
[M]+ 144.11449 130.2
[M]- 144.11559 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