CID 39036

41768-13-2

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]+ 239.05502 145.4
[M+Na]+ 261.03696 155.9
[M-H]- 237.04046 146.0
[M+NH4]+ 256.08156 162.4
[M+K]+ 277.01090 152.5
[M+H-H2O]+ 221.04500 141.1
[M+HCOO]- 283.04594 161.5
[M+CH3COO]- 297.06159 186.3
[M+Na-2H]- 259.02241 147.6
[M]+ 238.04719 144.8
[M]- 238.04829 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.