CID 14833045

Dtxsid70861029

Structural Information

Molecular Formula
C13H20O2
SMILES
CCOC(=O)C12CCCC1C3CCC2C3
InChI
InChI=1S/C13H20O2/c1-2-15-12(14)13-7-3-4-11(13)9-5-6-10(13)8-9/h9-11H,2-8H2,1H3
InChIKey
MGQPKOBPXHENPO-UHFFFAOYSA-N
Compound name
ethyl tricyclo[5.2.1.02,6]decane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

436
Patents

208.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 151.0
[M+Na]+ 231.13555 157.3
[M+NH4]+ 226.18015 161.9
[M+K]+ 247.10949 155.1
[M-H]- 207.13905 150.7
[M+Na-2H]- 229.12100 151.1
[M]+ 208.14578 151.6
[M]- 208.14688 151.6
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

patents stripe