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]+ 207.065176 139.2
[M+Na]+ 229.047118 146.8
[M-H]- 205.050624 142.4
[M+NH4]+ 224.091723 158.5
[M+K]+ 245.021058 144.3
[M+H-H2O]+ 189.055160 134.0
[M+HCOO]- 251.056101 157.5
[M+CH3COO]- 265.071751 183.5
[M+Na-2H]- 227.032566 143.2
[M]+ 206.05735142 136.7
[M]- 206.05844858 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