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

2905
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 151.6
[M+Na]+ 235.09408 158.8
[M-H]- 211.09758 158.0
[M+NH4]+ 230.13868 156.3
[M+K]+ 251.06802 157.6
[M+H-H2O]+ 195.10212 145.6
[M+HCOO]- 257.10306 166.0
[M+CH3COO]- 271.11871 196.3
[M+Na-2H]- 233.07953 153.0
[M]+ 212.10431 157.5
[M]- 212.10541 157.5
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