CID 445720

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

Structural Information

Molecular Formula
C9H14N2O7
SMILES
CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O
InChI
InChI=1S/C9H14N2O7/c1-11-7(16)9(10-8(11)17)6(15)5(14)4(13)3(2-12)18-9/h3-6,12-15H,2H2,1H3,(H,10,17)/t3-,4-,5+,6-,9+/m1/s1
InChIKey
RIUIMUSXAGXXON-FMTWGGRWSA-N
Compound name
(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-3-methyl-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

262.0801 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.087376 154.6
[M+Na]+ 285.069318 162.8
[M-H]- 261.072824 152.5
[M+NH4]+ 280.113923 168.5
[M+K]+ 301.043258 160.7
[M+H-H2O]+ 245.077360 150.2
[M+HCOO]- 307.078301 164.5
[M+CH3COO]- 321.093951 184.4
[M+Na-2H]- 283.054766 155.0
[M]+ 262.07955142 150.6
[M]- 262.08064858 150.6
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.