CID 6455280

Einecs 266-236-3

Structural Information

Molecular Formula
C11H16O3
SMILES
C1CC(C2C1C3CC2CC3O)C(=O)O
InChI
InChI=1S/C11H16O3/c12-9-4-5-3-8(9)6-1-2-7(10(5)6)11(13)14/h5-10,12H,1-4H2,(H,13,14)
InChIKey
FORIVXAMKGSSHE-UHFFFAOYSA-N
Compound name
8-hydroxytricyclo[5.2.1.02,6]decane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 147.3
[M+Na]+ 219.099158 154.0
[M-H]- 195.102664 148.6
[M+NH4]+ 214.143763 173.1
[M+K]+ 235.073098 151.0
[M+H-H2O]+ 179.107200 145.0
[M+HCOO]- 241.108141 163.5
[M+CH3COO]- 255.123791 180.9
[M+Na-2H]- 217.084606 146.2
[M]+ 196.10939142 144.4
[M]- 196.11048858 144.4
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.