CID 492458

2-methoxy-7-methyljuglone

Structural Information

Molecular Formula
C12H10O4
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)OC
InChI
InChI=1S/C12H10O4/c1-6-3-7-11(8(13)4-6)9(14)5-10(16-2)12(7)15/h3-5,13H,1-2H3
InChIKey
HBAYLNVMQQHPOR-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

218.0579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 141.3
[M+Na]+ 241.04712 152.4
[M-H]- 217.05062 145.8
[M+NH4]+ 236.09172 161.2
[M+K]+ 257.02106 149.6
[M+H-H2O]+ 201.05516 136.1
[M+HCOO]- 263.05610 163.1
[M+CH3COO]- 277.07175 188.2
[M+Na-2H]- 239.03257 146.6
[M]+ 218.05735 144.3
[M]- 218.05845 144.3
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.