CID 4533217

Allyloxy-3,4-epoxytricyclo(5.2.1.0 2,6)decane

Structural Information

Molecular Formula
C13H18O2
SMILES
C=CCOC1CC2CC1C3C2CC4C3O4
InChI
InChI=1S/C13H18O2/c1-2-3-14-10-5-7-4-9(10)12-8(7)6-11-13(12)15-11/h2,7-13H,1,3-6H2
InChIKey
FBOXKELXQKWVGV-UHFFFAOYSA-N
Compound name
10-prop-2-enoxy-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

206.13068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 147.5
[M+Na]+ 229.119898 157.8
[M-H]- 205.123404 153.4
[M+NH4]+ 224.164503 169.1
[M+K]+ 245.093838 153.4
[M+H-H2O]+ 189.127940 144.8
[M+HCOO]- 251.128881 164.6
[M+CH3COO]- 265.144531 160.5
[M+Na-2H]- 227.105346 149.5
[M]+ 206.13013142 152.2
[M]- 206.13122858 152.2
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