CID 107032

Einecs 268-050-8

Structural Information

Molecular Formula
C13H18O2
SMILES
CCC(=O)OC1CC2CCC13C2C=CC3
InChI
InChI=1S/C13H18O2/c1-2-12(14)15-11-8-9-5-7-13(11)6-3-4-10(9)13/h3-4,9-11H,2,5-8H2,1H3
InChIKey
GNSJBXUKHHNIFD-UHFFFAOYSA-N
Compound name
8-tricyclo[4.2.2.01,5]dec-3-enyl propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 152.1
[M+Na]+ 229.119898 158.8
[M-H]- 205.123404 157.6
[M+NH4]+ 224.164503 179.7
[M+K]+ 245.093838 156.5
[M+H-H2O]+ 189.127940 148.0
[M+HCOO]- 251.128881 173.1
[M+CH3COO]- 265.144531 185.6
[M+Na-2H]- 227.105346 152.4
[M]+ 206.13013142 152.1
[M]- 206.13122858 152.1
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

No patent data available for this compound.