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 146.2
[M+Na]+ 259.02131 158.7
[M+NH4]+ 254.06591 152.3
[M+K]+ 274.99525 155.0
[M-H]- 235.02481 145.8
[M+Na-2H]- 257.00676 149.1
[M]+ 236.03154 147.6
[M]- 236.03264 147.6
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