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]+ 197.11722 137.5
[M+Na]+ 219.09916 140.9
[M-H]- 195.10266 139.7
[M+NH4]+ 214.14376 156.5
[M+K]+ 235.07310 142.7
[M+H-H2O]+ 179.10720 134.1
[M+HCOO]- 241.10814 152.1
[M+CH3COO]- 255.12379 184.5
[M+Na-2H]- 217.08461 141.1
[M]+ 196.10939 130.2
[M]- 196.11049 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.