CID 446394

3-hydroxy-4-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-piperidin-2-one

Structural Information

Molecular Formula
C10H17NO7
SMILES
C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O
InChI
InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5-,6+,7+,8-,10+/m1/s1
InChIKey
BHZMHPRIYUPDCT-BQWZOORQSA-N
Compound name
(3S,4R)-3-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1005 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.107776 157.7
[M+Na]+ 286.089718 161.9
[M-H]- 262.093224 156.5
[M+NH4]+ 281.134323 168.0
[M+K]+ 302.063658 160.3
[M+H-H2O]+ 246.097760 151.1
[M+HCOO]- 308.098701 166.2
[M+CH3COO]- 322.114351 184.6
[M+Na-2H]- 284.075166 157.4
[M]+ 263.09995142 150.5
[M]- 263.10104858 150.5
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.