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]+ 264.10778 157.7
[M+Na]+ 286.08972 161.9
[M-H]- 262.09322 156.5
[M+NH4]+ 281.13432 168.0
[M+K]+ 302.06366 160.3
[M+H-H2O]+ 246.09776 151.1
[M+HCOO]- 308.09870 166.2
[M+CH3COO]- 322.11435 184.6
[M+Na-2H]- 284.07517 157.4
[M]+ 263.09995 150.5
[M]- 263.10105 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.