CID 89501

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

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC1OCCC(O1)C
InChI
InChI=1S/C7H14O2/c1-3-7-8-5-4-6(2)9-7/h6-7H,3-5H2,1-2H3
InChIKey
USYYVXJHBFSXQW-UHFFFAOYSA-N
Compound name
2-ethyl-4-methyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

130.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 126.7
[M+Na]+ 153.088598 132.9
[M-H]- 129.092104 131.2
[M+NH4]+ 148.133203 146.3
[M+K]+ 169.062538 135.1
[M+H-H2O]+ 113.096640 121.7
[M+HCOO]- 175.097581 146.2
[M+CH3COO]- 189.113231 171.6
[M+Na-2H]- 151.074046 134.4
[M]+ 130.09883142 126.1
[M]- 130.09992858 126.1
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