CID 10084702

Juglomycin a

Structural Information

Molecular Formula
C14H10O6
SMILES
C1[C@H]([C@H](OC1=O)C2=CC(=O)C3=C(C2=O)C=CC=C3O)O
InChI
InChI=1S/C14H10O6/c15-8-3-1-2-6-12(8)9(16)4-7(13(6)19)14-10(17)5-11(18)20-14/h1-4,10,14-15,17H,5H2/t10-,14-/m1/s1
InChIKey
JUTDGBUUAXODBT-QMTHXVAHSA-N
Compound name
5-hydroxy-2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04773 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05501 154.5
[M+Na]+ 297.03695 164.3
[M-H]- 273.04045 161.3
[M+NH4]+ 292.08155 171.3
[M+K]+ 313.01089 161.7
[M+H-H2O]+ 257.04499 149.3
[M+HCOO]- 319.04593 172.9
[M+CH3COO]- 333.06158 194.0
[M+Na-2H]- 295.02240 156.7
[M]+ 274.04718 155.0
[M]- 274.04828 155.0
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

No patent data available for this compound.