CID 288237

Tetracyclo[4.3.0.02,4.03,7]non-8-ene-8,9-dicarboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
C1C2C3C2C4C1C3C(=C4C(=O)O)C(=O)O
InChI
InChI=1S/C11H10O4/c12-10(13)8-6-3-1-2-4(6)5(2)7(3)9(8)11(14)15/h2-7H,1H2,(H,12,13)(H,14,15)
InChIKey
PGDKTWOUTRJVFJ-UHFFFAOYSA-N
Compound name
tetracyclo[4.3.0.02,4.03,7]non-8-ene-8,9-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 135.6
[M+Na]+ 229.04712 145.5
[M-H]- 205.05062 138.9
[M+NH4]+ 224.09172 159.3
[M+K]+ 245.02106 140.2
[M+H-H2O]+ 189.05516 135.4
[M+HCOO]- 251.05610 150.8
[M+CH3COO]- 265.07175 148.7
[M+Na-2H]- 227.03257 137.0
[M]+ 206.05735 144.4
[M]- 206.05845 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.