CID 16219259

Depudecin

Structural Information

Molecular Formula
C11H16O4
SMILES
C[C@H]([C@H]1[C@@H](O1)/C=C/[C@H]2[C@@H](O2)[C@@H](C=C)O)O
InChI
InChI=1S/C11H16O4/c1-3-7(13)11-9(15-11)5-4-8-10(14-8)6(2)12/h3-13H,1H2,2H3/b5-4+/t6-,7-,8+,9+,10+,11+/m1/s1
InChIKey
DLVJMFOLJOOWFS-INMLLLKOSA-N
Compound name
(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

2901
Patents

212.10486 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 128.6
[M+Na]+ 235.09408 139.4
[M+NH4]+ 230.13868 135.2
[M+K]+ 251.06802 140.7
[M-H]- 211.09758 142.8
[M+Na-2H]- 233.07953 136.3
[M]+ 212.10431 135.9
[M]- 212.10541 135.9
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

patents stripe