CID 53428922

Einecs 283-024-6

Structural Information

Molecular Formula
C15H26O2
SMILES
CCOC(=O)C1CC2CC(C1CC2C)C(C)C
InChI
InChI=1S/C15H26O2/c1-5-17-15(16)14-8-11-7-12(9(2)3)13(14)6-10(11)4/h9-14H,5-8H2,1-4H3
InChIKey
BSYZAGFQVCLKBE-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-7-propan-2-ylbicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 161.4
[M+Na]+ 261.182498 164.1
[M-H]- 237.186004 157.5
[M+NH4]+ 256.227103 183.8
[M+K]+ 277.156438 162.3
[M+H-H2O]+ 221.190540 157.0
[M+HCOO]- 283.191481 169.6
[M+CH3COO]- 297.207131 202.1
[M+Na-2H]- 259.167946 165.6
[M]+ 238.19273142 163.8
[M]- 238.19382858 163.8
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.