CID 334361

1,4-naphthalenedione, 5,8-dimethoxy-

Structural Information

Molecular Formula
C12H10O4
SMILES
COC1=C2C(=O)C=CC(=O)C2=C(C=C1)OC
InChI
InChI=1S/C12H10O4/c1-15-9-5-6-10(16-2)12-8(14)4-3-7(13)11(9)12/h3-6H,1-2H3
InChIKey
HXULXWJWZVUESP-UHFFFAOYSA-N
Compound name
5,8-dimethoxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

86
Patents

218.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 141.2
[M+Na]+ 241.04712 151.7
[M-H]- 217.05062 146.7
[M+NH4]+ 236.09172 161.4
[M+K]+ 257.02106 149.8
[M+H-H2O]+ 201.05516 135.4
[M+HCOO]- 263.05610 164.5
[M+CH3COO]- 277.07175 189.4
[M+Na-2H]- 239.03257 147.6
[M]+ 218.05735 145.5
[M]- 218.05845 145.5
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.