CID 11776755

Beta-d-glucopyranose spirohydantoin

Structural Information

Molecular Formula
C8H12N2O7
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@]2(O1)C(=O)NC(=O)N2)O)O)O)O
InChI
InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8-/m1/s1
InChIKey
QRXBDPYWCAAAAI-UXDJRKLDSA-N
Compound name
(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

248.06445 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07173 151.5
[M+Na]+ 271.05367 158.9
[M-H]- 247.05717 147.8
[M+NH4]+ 266.09827 164.9
[M+K]+ 287.02761 156.0
[M+H-H2O]+ 231.06171 147.0
[M+HCOO]- 293.06265 160.2
[M+CH3COO]- 307.07830 178.0
[M+Na-2H]- 269.03912 152.4
[M]+ 248.06390 145.0
[M]- 248.06500 145.0
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