CID 135483447

41768-12-1

Structural Information

Molecular Formula
C11H8O6
SMILES
CC1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)O)O)O
InChI
InChI=1S/C11H8O6/c1-3-2-4(12)5-6(7(3)13)9(15)11(17)10(16)8(5)14/h2,12-13,16-17H,1H3
InChIKey
WXLPYHMWBMMBOS-UHFFFAOYSA-N
Compound name
2,3,5,8-tetrahydroxy-6-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

7
Patents

236.03209 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03937 146.7
[M+Na]+ 259.02131 159.0
[M+NH4]+ 254.06591 152.4
[M+K]+ 274.99525 155.7
[M-H]- 235.02481 145.8
[M+Na-2H]- 257.00676 148.7
[M]+ 236.03154 147.9
[M]- 236.03264 147.9
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