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

14
Patents

206.13068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 147.5
[M+Na]+ 229.11990 157.8
[M-H]- 205.12340 153.4
[M+NH4]+ 224.16450 169.1
[M+K]+ 245.09384 153.4
[M+H-H2O]+ 189.12794 144.8
[M+HCOO]- 251.12888 164.6
[M+CH3COO]- 265.14453 160.5
[M+Na-2H]- 227.10535 149.5
[M]+ 206.13013 152.2
[M]- 206.13123 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