CID 39036

5,6,7,8-tetrahydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione

Structural Information

Molecular Formula
C11H10O6
SMILES
CC1CC(=O)C2=C(C1=O)C(=C(C(=C2O)O)O)O
InChI
InChI=1S/C11H10O6/c1-3-2-4(12)5-6(7(3)13)9(15)11(17)10(16)8(5)14/h3,14-17H,2H2,1H3
InChIKey
HXOOOGYEHMTSBK-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04774 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.055016 145.4
[M+Na]+ 261.036958 155.9
[M-H]- 237.040464 146.0
[M+NH4]+ 256.081563 162.4
[M+K]+ 277.010898 152.5
[M+H-H2O]+ 221.045000 141.1
[M+HCOO]- 283.045941 161.5
[M+CH3COO]- 297.061591 186.3
[M+Na-2H]- 259.022406 147.6
[M]+ 238.04719142 144.8
[M]- 238.04828858 144.8
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.