CID 95403

4-methyl-2-propyl-1,3-dioxane

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCC1OCCC(O1)C
InChI
InChI=1S/C8H16O2/c1-3-4-8-9-6-5-7(2)10-8/h7-8H,3-6H2,1-2H3
InChIKey
AHJYOYDRGYJRDR-UHFFFAOYSA-N
Compound name
4-methyl-2-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

144.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 130.7
[M+Na]+ 167.10426 142.3
[M+NH4]+ 162.14886 139.6
[M+K]+ 183.07820 136.9
[M-H]- 143.10776 135.3
[M+Na-2H]- 165.08971 135.1
[M]+ 144.11449 133.6
[M]- 144.11559 133.6
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