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]+ 191.143046 148.4
[M+Na]+ 213.124988 155.9
[M-H]- 189.128494 152.2
[M+NH4]+ 208.169593 176.0
[M+K]+ 229.098928 152.5
[M+H-H2O]+ 173.133030 144.8
[M+HCOO]- 235.133971 169.3
[M+CH3COO]- 249.149621 161.6
[M+Na-2H]- 211.110436 149.2
[M]+ 190.13522142 148.6
[M]- 190.13631858 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.