CID 124003761

Bicyclo[3.2.2]nonane-6-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC2CCC(C1)C(C2)C(=O)O
InChI
InChI=1S/C10H16O2/c11-10(12)9-6-7-2-1-3-8(9)5-4-7/h7-9H,1-6H2,(H,11,12)
InChIKey
RUBJIIMMNAVITE-UHFFFAOYSA-N
Compound name
bicyclo[3.2.2]nonane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 142.8
[M+Na]+ 191.104258 149.3
[M-H]- 167.107764 143.2
[M+NH4]+ 186.148863 164.0
[M+K]+ 207.078198 147.0
[M+H-H2O]+ 151.112300 145.4
[M+HCOO]- 213.113241 153.0
[M+CH3COO]- 227.128891 152.7
[M+Na-2H]- 189.089706 151.5
[M]+ 168.11449142 140.2
[M]- 168.11558858 140.2
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