CID 3044301

Antibiotic sf 1768

Structural Information

Molecular Formula
C8H10O5
SMILES
CC(=O)OC[C@@]1([C@H](C=CC1=O)O)O
InChI
InChI=1S/C8H10O5/c1-5(9)13-4-8(12)6(10)2-3-7(8)11/h2-3,6,10,12H,4H2,1H3/t6-,8-/m0/s1
InChIKey
DVJGIZJCFYOLFM-XPUUQOCRSA-N
Compound name
[(1S,2S)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05283 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06011 137.9
[M+Na]+ 209.04205 146.2
[M+NH4]+ 204.08665 145.0
[M+K]+ 225.01599 143.5
[M-H]- 185.04555 135.9
[M+Na-2H]- 207.02750 141.2
[M]+ 186.05228 138.1
[M]- 186.05338 138.1
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.