CID 445717

(5s,7r,8s,9s,10r)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

Structural Information

Molecular Formula
C8H13N3O7
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O
InChI
InChI=1S/C8H13N3O7/c9-11-6(16)8(10-7(11)17)5(15)4(14)3(13)2(1-12)18-8/h2-5,12-15H,1,9H2,(H,10,17)/t2-,3-,4+,5-,8+/m1/s1
InChIKey
KLJXQBRQPPSXPZ-WWHASAIZSA-N
Compound name
(5S,7R,8S,9S,10R)-3-amino-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

1
References

6
Patents

263.07535 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08263 154.4
[M+Na]+ 286.06457 162.0
[M-H]- 262.06807 151.8
[M+NH4]+ 281.10917 167.5
[M+K]+ 302.03851 159.8
[M+H-H2O]+ 246.07261 149.6
[M+HCOO]- 308.07355 164.9
[M+CH3COO]- 322.08920 186.9
[M+Na-2H]- 284.05002 154.7
[M]+ 263.07480 148.3
[M]- 263.07590 148.3
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