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]+ 199.09648 143.8
[M+Na]+ 221.07842 149.4
[M-H]- 197.08192 139.5
[M+NH4]+ 216.12302 170.4
[M+K]+ 237.05236 147.7
[M+H-H2O]+ 181.08646 140.2
[M+HCOO]- 243.08740 153.8
[M+CH3COO]- 257.10305 185.0
[M+Na-2H]- 219.06387 155.3
[M]+ 198.08865 146.1
[M]- 198.08975 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