CID 112136

68992-06-3

Structural Information

Molecular Formula
C13H20O2
SMILES
CCOC(=O)C1CCC2C1C3CCC2C3
InChI
InChI=1S/C13H20O2/c1-2-15-13(14)11-6-5-10-8-3-4-9(7-8)12(10)11/h8-12H,2-7H2,1H3
InChIKey
LINAHFPJENQYPB-UHFFFAOYSA-N
Compound name
ethyl tricyclo[5.2.1.02,6]decane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 154.4
[M+Na]+ 231.13555 160.4
[M-H]- 207.13905 157.8
[M+NH4]+ 226.18015 181.0
[M+K]+ 247.10949 158.1
[M+H-H2O]+ 191.14359 150.9
[M+HCOO]- 253.14453 172.8
[M+CH3COO]- 267.16018 187.9
[M+Na-2H]- 229.12100 153.1
[M]+ 208.14578 153.8
[M]- 208.14688 153.8
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.