CID 136544

4-methylbicyclo[2.2.2]octane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
CC12CCC(CC1)(CC2)C(=O)O
InChI
InChI=1S/C10H16O2/c1-9-2-5-10(6-3-9,7-4-9)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
VAIOYMYTWWCODC-UHFFFAOYSA-N
Compound name
4-methylbicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 138.5
[M+Na]+ 191.10426 147.2
[M+NH4]+ 186.14886 151.8
[M+K]+ 207.07820 137.3
[M-H]- 167.10776 136.1
[M+Na-2H]- 189.08971 138.8
[M]+ 168.11449 139.2
[M]- 168.11559 139.2
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

patents stripe