CID 54686208

Nsc651208

Structural Information

Molecular Formula
C15H14O7
SMILES
CCOC(=O)C1=C(C2=C(C=CC(=C2C(=O)C1=O)OC)OC)O
InChI
InChI=1S/C15H14O7/c1-4-22-15(19)11-12(16)9-7(20-2)5-6-8(21-3)10(9)13(17)14(11)18/h5-6,16H,4H2,1-3H3
InChIKey
GGZBSKZHBJBKRS-UHFFFAOYSA-N
Compound name
ethyl 1-hydroxy-5,8-dimethoxy-3,4-dioxonaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07394 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08122 161.2
[M+Na]+ 329.06316 171.1
[M-H]- 305.06666 165.4
[M+NH4]+ 324.10776 177.1
[M+K]+ 345.03710 169.9
[M+H-H2O]+ 289.07120 155.0
[M+HCOO]- 351.07214 181.4
[M+CH3COO]- 365.08779 204.9
[M+Na-2H]- 327.04861 163.5
[M]+ 306.07339 168.5
[M]- 306.07449 168.5
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.