CID 135483447

2,3,5,8-tetrahydroxy-6-methylnaphthalene-1,4-dione

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

0
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 144.0
[M+Na]+ 259.02131 155.5
[M-H]- 235.02481 145.1
[M+NH4]+ 254.06591 161.2
[M+K]+ 274.99525 152.0
[M+H-H2O]+ 219.02935 139.6
[M+HCOO]- 281.03029 161.6
[M+CH3COO]- 295.04594 185.9
[M+Na-2H]- 257.00676 147.1
[M]+ 236.03154 144.9
[M]- 236.03264 144.9
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.