CID 53436955

84522-27-0

Structural Information

Molecular Formula
C14H24O2
SMILES
CC1CC2C(CC1CC2C(=O)OC)C(C)C
InChI
InChI=1S/C14H24O2/c1-8(2)11-6-10-7-13(14(15)16-4)12(11)5-9(10)3/h8-13H,5-7H2,1-4H3
InChIKey
GDVXOQCKZGGAQG-UHFFFAOYSA-N
Compound name
methyl 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

224.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 156.6
[M+Na]+ 247.166848 159.8
[M-H]- 223.170354 153.0
[M+NH4]+ 242.211453 179.6
[M+K]+ 263.140788 158.2
[M+H-H2O]+ 207.174890 152.4
[M+HCOO]- 269.175831 165.2
[M+CH3COO]- 283.191481 199.2
[M+Na-2H]- 245.152296 161.4
[M]+ 224.17708142 158.7
[M]- 224.17817858 158.7
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.