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]+ 265.066636 153.2
[M+Na]+ 287.048578 161.1
[M-H]- 263.052084 149.8
[M+NH4]+ 282.093183 166.1
[M+K]+ 303.022518 159.0
[M+H-H2O]+ 247.056620 148.9
[M+HCOO]- 309.057561 162.0
[M+CH3COO]- 323.073211 182.2
[M+Na-2H]- 285.034026 153.8
[M]+ 264.05881142 148.6
[M]- 264.05990858 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.