CID 12765152

4-methoxy-2-oxobicyclo[2.2.2]octane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14O4
SMILES
COC12CCC(CC1)(C(=O)C2)C(=O)O
InChI
InChI=1S/C10H14O4/c1-14-9-2-4-10(5-3-9,8(12)13)7(11)6-9/h2-6H2,1H3,(H,12,13)
InChIKey
PPMABBAXEJXFKM-UHFFFAOYSA-N
Compound name
4-methoxy-2-oxobicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

198.0892 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 143.8
[M+Na]+ 221.078418 149.4
[M-H]- 197.081924 139.5
[M+NH4]+ 216.123023 170.4
[M+K]+ 237.052358 147.7
[M+H-H2O]+ 181.086460 140.2
[M+HCOO]- 243.087401 153.8
[M+CH3COO]- 257.103051 185.0
[M+Na-2H]- 219.063866 155.3
[M]+ 198.08865142 146.2
[M]- 198.08974858 146.2
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