CID 445718

3,8,9,10-tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione

Structural Information

Molecular Formula
C8H12N2O8
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O
InChI
InChI=1S/C8H12N2O8/c11-1-2-3(12)4(13)5(14)8(18-2)6(15)10(17)7(16)9-8/h2-5,11-14,17H,1H2,(H,9,16)/t2-,3-,4+,5-,8+/m1/s1
InChIKey
IHDZZZHACPJCFJ-WWHASAIZSA-N
Compound name
(5S,7R,8S,9S,10R)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.05936 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06664 153.2
[M+Na]+ 287.04858 161.1
[M-H]- 263.05208 149.8
[M+NH4]+ 282.09318 166.1
[M+K]+ 303.02252 159.0
[M+H-H2O]+ 247.05662 148.9
[M+HCOO]- 309.05756 162.0
[M+CH3COO]- 323.07321 182.2
[M+Na-2H]- 285.03403 153.8
[M]+ 264.05881 148.6
[M]- 264.05991 148.6
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

No patent data available for this compound.