CID 109488

68109-65-9

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 150.7
[M+Na]+ 227.10426 158.8
[M-H]- 203.10776 155.1
[M+NH4]+ 222.14886 177.8
[M+K]+ 243.07820 156.3
[M+H-H2O]+ 187.11230 147.3
[M+HCOO]- 249.11324 172.2
[M+CH3COO]- 263.12889 187.1
[M+Na-2H]- 225.08971 151.4
[M]+ 204.11449 153.1
[M]- 204.11559 153.1
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