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]+ 237.039366 144.0
[M+Na]+ 259.021308 155.5
[M-H]- 235.024814 145.1
[M+NH4]+ 254.065913 161.2
[M+K]+ 274.995248 152.0
[M+H-H2O]+ 219.029350 139.6
[M+HCOO]- 281.030291 161.6
[M+CH3COO]- 295.045941 185.9
[M+Na-2H]- 257.006756 147.1
[M]+ 236.03154142 144.9
[M]- 236.03263858 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

literature stripe

Patent stripe

patents stripe