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]+ 229.107056 152.9
[M+Na]+ 251.088998 159.7
[M-H]- 227.092504 158.1
[M+NH4]+ 246.133603 156.4
[M+K]+ 267.062938 157.9
[M+H-H2O]+ 211.097040 147.1
[M+HCOO]- 273.097981 166.2
[M+CH3COO]- 287.113631 196.2
[M+Na-2H]- 249.074446 154.1
[M]+ 228.09923142 158.7
[M]- 228.10032858 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

literature stripe

Patent stripe

patents stripe