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
3
Annotation Hits

0
References

452
Patents

208.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 155.1
[M+Na]+ 231.135548 161.3
[M-H]- 207.139054 158.4
[M+NH4]+ 226.180153 183.4
[M+K]+ 247.109488 158.7
[M+H-H2O]+ 191.143590 151.7
[M+HCOO]- 253.144531 173.5
[M+CH3COO]- 267.160181 186.3
[M+Na-2H]- 229.120996 155.5
[M]+ 208.14578142 154.4
[M]- 208.14687858 154.4
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