CID 102774

4-hexyl-1,3-dioxane

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCCC1CCOCO1
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-10-7-8-11-9-12-10/h10H,2-9H2,1H3
InChIKey
MNIXGQSLDFHHHN-UHFFFAOYSA-N
Compound name
4-hexyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

172.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 140.3
[M+Na]+ 195.13555 151.2
[M+NH4]+ 190.18015 148.9
[M+K]+ 211.10949 145.0
[M-H]- 171.13905 144.9
[M+Na-2H]- 193.12100 144.3
[M]+ 172.14578 143.1
[M]- 172.14688 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe