CID 137321737

7-o-methylspinochrome b (2, 3,5trihydroxy-7-methoxy-l , 4-naphthoquinone)

Structural Information

Molecular Formula
C11H8O6
SMILES
COC1=CC2=C(C(=C1)O)C(=O)C(=O)C(=C2O)O
InChI
InChI=1S/C11H8O6/c1-17-4-2-5-7(6(12)3-4)9(14)11(16)10(15)8(5)13/h2-3,12-13,15H,1H3
InChIKey
VWMMEIDFMHLZAZ-UHFFFAOYSA-N
Compound name
3,4,8-trihydroxy-6-methoxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.03209 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.039366 143.4
[M+Na]+ 259.021308 154.5
[M-H]- 235.024814 145.5
[M+NH4]+ 254.065913 161.1
[M+K]+ 274.995248 151.7
[M+H-H2O]+ 219.029350 138.5
[M+HCOO]- 281.030291 162.6
[M+CH3COO]- 295.045941 186.6
[M+Na-2H]- 257.006756 147.7
[M]+ 236.03154142 145.7
[M]- 236.03263858 145.7
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

patents stripe