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

11
Patents

130.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 126.7
[M+Na]+ 153.08860 132.9
[M-H]- 129.09210 131.2
[M+NH4]+ 148.13320 146.3
[M+K]+ 169.06254 135.1
[M+H-H2O]+ 113.09664 121.7
[M+HCOO]- 175.09758 146.2
[M+CH3COO]- 189.11323 171.6
[M+Na-2H]- 151.07405 134.4
[M]+ 130.09883 126.1
[M]- 130.09993 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