CID 109488

Einecs 268-480-6

Structural Information

Molecular Formula
C13H16O2
SMILES
CCC(=O)OC1=C2C3CCC(C3)C2C=C1
InChI
InChI=1S/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h5-6,8-10H,2-4,7H2,1H3
InChIKey
BHTSCSWWXCKZQL-UHFFFAOYSA-N
Compound name
3-tricyclo[5.2.1.02,6]deca-2,4-dienyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 146.2
[M+Na]+ 227.10426 154.7
[M+NH4]+ 222.14886 155.8
[M+K]+ 243.07820 154.1
[M-H]- 203.10776 146.5
[M+Na-2H]- 225.08971 146.6
[M]+ 204.11449 147.2
[M]- 204.11559 147.2
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