CID 31458

22644-69-5

Structural Information

Molecular Formula
C13H24O3
SMILES
CCCOC(C)C1(COC(OC1)C)CC=C
InChI
InChI=1S/C13H24O3/c1-5-7-13(11(3)14-8-6-2)9-15-12(4)16-10-13/h5,11-12H,1,6-10H2,2-4H3
InChIKey
CYLVRKPTQZQIGD-UHFFFAOYSA-N
Compound name
2-methyl-5-prop-2-enyl-5-(1-propoxyethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.17255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.179826 155.0
[M+Na]+ 251.161768 159.6
[M-H]- 227.165274 158.8
[M+NH4]+ 246.206373 172.5
[M+K]+ 267.135708 161.0
[M+H-H2O]+ 211.169810 149.7
[M+HCOO]- 273.170751 171.9
[M+CH3COO]- 287.186401 191.4
[M+Na-2H]- 249.147216 159.5
[M]+ 228.17200142 157.0
[M]- 228.17309858 157.0
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

No patent data available for this compound.