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

160
Patents

144.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 131.4
[M+Na]+ 167.104258 137.2
[M-H]- 143.107764 135.8
[M+NH4]+ 162.148863 150.5
[M+K]+ 183.078198 139.2
[M+H-H2O]+ 127.112300 126.2
[M+HCOO]- 189.113241 150.6
[M+CH3COO]- 203.128891 174.6
[M+Na-2H]- 165.089706 138.6
[M]+ 144.11449142 131.2
[M]- 144.11558858 131.2
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