CID 53428921

Einecs 284-826-9

Structural Information

Molecular Formula
C15H24O2
SMILES
CCOC(=O)C1CC2CC(C1C=C2C)C(C)C
InChI
InChI=1S/C15H24O2/c1-5-17-15(16)14-8-11-7-12(9(2)3)13(14)6-10(11)4/h6,9,11-14H,5,7-8H2,1-4H3
InChIKey
VDLQBGFBIGHFJI-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 160.2
[M+Na]+ 259.166848 164.0
[M-H]- 235.170354 156.8
[M+NH4]+ 254.211453 182.8
[M+K]+ 275.140788 162.1
[M+H-H2O]+ 219.174890 155.8
[M+HCOO]- 281.175831 169.9
[M+CH3COO]- 295.191481 201.7
[M+Na-2H]- 257.152296 165.5
[M]+ 236.17708142 164.1
[M]- 236.17817858 164.1
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.