CID 130034138

Dtxsid201366085

Structural Information

Molecular Formula
C10H8O4
SMILES
C1C(=O)CC(=O)C2=C1C=C(C=C2O)O
InChI
InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,11,13H,2,4H2
InChIKey
MYYNZCJFUUAOOP-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-4H-naphthalene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04225 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 134.8
[M+Na]+ 215.031468 144.4
[M-H]- 191.034974 137.5
[M+NH4]+ 210.076073 154.6
[M+K]+ 231.005408 141.3
[M+H-H2O]+ 175.039510 130.0
[M+HCOO]- 237.040451 154.2
[M+CH3COO]- 251.056101 178.8
[M+Na-2H]- 213.016916 140.4
[M]+ 192.04170142 133.4
[M]- 192.04279858 133.4
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.