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

1
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

patents stripe