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]+ 237.03937 143.4
[M+Na]+ 259.02131 154.5
[M-H]- 235.02481 145.5
[M+NH4]+ 254.06591 161.1
[M+K]+ 274.99525 151.7
[M+H-H2O]+ 219.02935 138.5
[M+HCOO]- 281.03029 162.6
[M+CH3COO]- 295.04594 186.6
[M+Na-2H]- 257.00676 147.7
[M]+ 236.03154 145.7
[M]- 236.03264 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