CID 5283267

Depdecin

Structural Information

Molecular Formula
C11H16O5
SMILES
C=C[C@H]([C@H]1[C@@H](O1)/C=C/[C@H]2[C@@H](O2)[C@@H](CO)O)O
InChI
InChI=1S/C11H16O5/c1-2-6(13)10-8(15-10)3-4-9-11(16-9)7(14)5-12/h2-4,6-14H,1,5H2/b4-3+/t6-,7-,8+,9+,10+,11+/m1/s1
InChIKey
WWAQOPQUSWZTHG-SHEFQFEDSA-N
Compound name
(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyprop-2-enyl]oxiran-2-yl]ethenyl]oxiran-2-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.09978 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10706 152.9
[M+Na]+ 251.08900 159.7
[M-H]- 227.09250 158.1
[M+NH4]+ 246.13360 156.4
[M+K]+ 267.06294 157.9
[M+H-H2O]+ 211.09704 147.1
[M+HCOO]- 273.09798 166.2
[M+CH3COO]- 287.11363 196.2
[M+Na-2H]- 249.07445 154.1
[M]+ 228.09923 158.7
[M]- 228.10033 158.7
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.