CID 54682843

Nsc651206

Structural Information

Molecular Formula
C14H12O6
SMILES
CCOC(=O)C1=C(C2=C(C=C(C=C2)OC)C(=O)C1=O)O
InChI
InChI=1S/C14H12O6/c1-3-20-14(18)10-11(15)8-5-4-7(19-2)6-9(8)12(16)13(10)17/h4-6,15H,3H2,1-2H3
InChIKey
OIJWMJXOFPQWJA-UHFFFAOYSA-N
Compound name
ethyl 1-hydroxy-6-methoxy-3,4-dioxonaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07068 154.7
[M+Na]+ 299.05262 164.5
[M-H]- 275.05612 158.8
[M+NH4]+ 294.09722 171.8
[M+K]+ 315.02656 162.6
[M+H-H2O]+ 259.06066 148.8
[M+HCOO]- 321.06160 175.3
[M+CH3COO]- 335.07725 198.3
[M+Na-2H]- 297.03807 158.0
[M]+ 276.06285 159.9
[M]- 276.06395 159.9
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.