CID 21533

5-ethyl-2-(furan-2-yl)-4-propyl-1,3-dioxane

Structural Information

Molecular Formula
C13H20O3
SMILES
CCCC1C(COC(O1)C2=CC=CO2)CC
InChI
InChI=1S/C13H20O3/c1-3-6-11-10(4-2)9-15-13(16-11)12-7-5-8-14-12/h5,7-8,10-11,13H,3-4,6,9H2,1-2H3
InChIKey
OUGLWZHYCRWZCQ-UHFFFAOYSA-N
Compound name
5-ethyl-2-(furan-2-yl)-4-propyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

224.14125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 152.6
[M+Na]+ 247.13047 158.6
[M-H]- 223.13397 160.6
[M+NH4]+ 242.17507 168.7
[M+K]+ 263.10441 160.0
[M+H-H2O]+ 207.13851 146.9
[M+HCOO]- 269.13945 171.5
[M+CH3COO]- 283.15510 188.8
[M+Na-2H]- 245.11592 156.9
[M]+ 224.14070 154.8
[M]- 224.14180 154.8
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.