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
1
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]+ 207.13796 152.1
[M+Na]+ 229.11990 158.8
[M-H]- 205.12340 157.6
[M+NH4]+ 224.16450 179.7
[M+K]+ 245.09384 156.5
[M+H-H2O]+ 189.12794 148.0
[M+HCOO]- 251.12888 173.1
[M+CH3COO]- 265.14453 185.6
[M+Na-2H]- 227.10535 152.4
[M]+ 206.13013 152.1
[M]- 206.13123 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.