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]+ 263.08738 154.6
[M+Na]+ 285.06932 162.8
[M-H]- 261.07282 152.5
[M+NH4]+ 280.11392 168.5
[M+K]+ 301.04326 160.7
[M+H-H2O]+ 245.07736 150.2
[M+HCOO]- 307.07830 164.5
[M+CH3COO]- 321.09395 184.4
[M+Na-2H]- 283.05477 155.0
[M]+ 262.07955 150.6
[M]- 262.08065 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.