CID 174908

Einecs 276-350-5

Structural Information

Molecular Formula
C12H16O4
SMILES
C1CC2C(C1)C3(CC2CC3C(=O)O)C(=O)O
InChI
InChI=1S/C12H16O4/c13-10(14)9-4-6-5-12(9,11(15)16)8-3-1-2-7(6)8/h6-9H,1-5H2,(H,13,14)(H,15,16)
InChIKey
GEMAWBBGRAQZEV-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decane-1,9-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 151.1
[M+Na]+ 247.09408 155.5
[M+NH4]+ 242.13868 159.8
[M+K]+ 263.06802 156.2
[M-H]- 223.09758 148.4
[M+Na-2H]- 245.07953 149.0
[M]+ 224.10431 150.4
[M]- 224.10541 150.4
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

patents stripe