CID 193737

Antibiotic ll-z 1220

Structural Information

Molecular Formula
C11H8O4
SMILES
C1=COC(=CC1=O)C2=C[C@@H]3[C@@H](O3)[C@H]4[C@@H]2O4
InChI
InChI=1S/C11H8O4/c12-5-1-2-13-7(3-5)6-4-8-10(14-8)11-9(6)15-11/h1-4,8-11H/t8-,9-,10-,11-/m1/s1
InChIKey
WWHMQTDCCWMKQY-GWOFURMSSA-N
Compound name
2-[(1R,2R,4R,7R)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-en-5-yl]pyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.04225 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 152.1
[M+Na]+ 227.03147 163.4
[M-H]- 203.03497 163.1
[M+NH4]+ 222.07607 158.7
[M+K]+ 243.00541 164.7
[M+H-H2O]+ 187.03951 145.2
[M+HCOO]- 249.04045 168.5
[M+CH3COO]- 263.05610 163.8
[M+Na-2H]- 225.01692 160.1
[M]+ 204.04170 160.9
[M]- 204.04280 160.9
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.