CID 125429

Hydantocidin

Structural Information

Molecular Formula
C7H10N2O6
SMILES
C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O
InChI
InChI=1S/C7H10N2O6/c10-1-2-3(11)4(12)7(15-2)5(13)8-6(14)9-7/h2-4,10-12H,1H2,(H2,8,9,13,14)/t2-,3-,4-,7+/m1/s1
InChIKey
RFZZKBWDDKMWNM-GTBMBKLPSA-N
Compound name
(5S,7R,8S,9R)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

952
Patents

218.05388 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06116 143.4
[M+Na]+ 241.04310 151.6
[M-H]- 217.04660 141.3
[M+NH4]+ 236.08770 160.4
[M+K]+ 257.01704 149.1
[M+H-H2O]+ 201.05114 139.5
[M+HCOO]- 263.05208 156.0
[M+CH3COO]- 277.06773 172.8
[M+Na-2H]- 239.02855 144.5
[M]+ 218.05333 138.4
[M]- 218.05443 138.4
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