CID 243544

7144-75-4

Structural Information

Molecular Formula
C11H10O4
SMILES
C1C=CC(C2C1C(=O)C=CC2=O)C(=O)O
InChI
InChI=1S/C11H10O4/c12-8-4-5-9(13)10-6(8)2-1-3-7(10)11(14)15/h1,3-7,10H,2H2,(H,14,15)
InChIKey
HMHYLJXNGHJBJD-UHFFFAOYSA-N
Compound name
5,8-dioxo-1,4,4a,8a-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.0579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.2
[M+Na]+ 229.04712 146.8
[M-H]- 205.05062 142.4
[M+NH4]+ 224.09172 158.5
[M+K]+ 245.02106 144.3
[M+H-H2O]+ 189.05516 134.0
[M+HCOO]- 251.05610 157.5
[M+CH3COO]- 265.07175 183.5
[M+Na-2H]- 227.03257 143.2
[M]+ 206.05735 136.7
[M]- 206.05845 136.7
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