CID 123141

Ethyl adamantane-1-carboxylate

Structural Information

Molecular Formula
C13H20O2
SMILES
CCOC(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H20O2/c1-2-15-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3
InChIKey
SYEXGNJRYPOUSI-UHFFFAOYSA-N
Compound name
ethyl adamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

356
Patents

208.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 148.9
[M+Na]+ 231.13555 157.9
[M+NH4]+ 226.18015 161.7
[M+K]+ 247.10949 148.6
[M-H]- 207.13905 146.8
[M+Na-2H]- 229.12100 146.0
[M]+ 208.14578 149.6
[M]- 208.14688 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe