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

literature stripe

Patent stripe

patents stripe