CID 347423

Allyloxytricyclo(5.2.1.0 2,6)dec-3-ene

Structural Information

Molecular Formula
C13H18O
SMILES
C=CCOC1CC2CC1C3C2C=CC3
InChI
InChI=1S/C13H18O/c1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11/h2-4,9-13H,1,5-8H2
InChIKey
CJBBUKCSNYALMD-UHFFFAOYSA-N
Compound name
8-prop-2-enoxytricyclo[5.2.1.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 148.4
[M+Na]+ 213.12499 155.9
[M-H]- 189.12849 152.2
[M+NH4]+ 208.16959 176.0
[M+K]+ 229.09893 152.5
[M+H-H2O]+ 173.13303 144.8
[M+HCOO]- 235.13397 169.3
[M+CH3COO]- 249.14962 161.6
[M+Na-2H]- 211.11044 149.2
[M]+ 190.13522 148.6
[M]- 190.13632 148.6
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.