CID 83484760

10-oxobicyclo[4.3.1]decane-8-carboxylic acid

Structural Information

Molecular Formula
C11H16O3
SMILES
C1CCC2CC(CC(C1)C2=O)C(=O)O
InChI
InChI=1S/C11H16O3/c12-10-7-3-1-2-4-8(10)6-9(5-7)11(13)14/h7-9H,1-6H2,(H,13,14)
InChIKey
RPJIOCUMCVSAPA-UHFFFAOYSA-N
Compound name
10-oxobicyclo[4.3.1]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 137.5
[M+Na]+ 219.099158 140.9
[M-H]- 195.102664 139.7
[M+NH4]+ 214.143763 156.5
[M+K]+ 235.073098 142.7
[M+H-H2O]+ 179.107200 134.1
[M+HCOO]- 241.108141 152.1
[M+CH3COO]- 255.123791 184.5
[M+Na-2H]- 217.084606 141.1
[M]+ 196.10939142 130.2
[M]- 196.11048858 130.2
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

No patent data available for this compound.