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
2
Annotation Hits

0
References

14
Patents

224.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 154.8
[M+Na]+ 247.094078 161.1
[M-H]- 223.097584 156.0
[M+NH4]+ 242.138683 181.0
[M+K]+ 263.068018 158.2
[M+H-H2O]+ 207.102120 152.9
[M+HCOO]- 269.103061 170.0
[M+CH3COO]- 283.118711 184.4
[M+Na-2H]- 245.079526 154.0
[M]+ 224.10431142 152.3
[M]- 224.10540858 152.3
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