CID 159496

(2r,3r,5s,6r)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol

Structural Information

Molecular Formula
C7H15NO5
SMILES
C([C@@H]1[C@H](C([C@H]([C@H](N1)CO)O)O)O)O
InChI
InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1
InChIKey
CLVUFWXGNIFGNC-QTSLKERKSA-N
Compound name
(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

498
Patents

193.09502 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.102296 142.9
[M+Na]+ 216.084238 148.8
[M-H]- 192.087744 137.1
[M+NH4]+ 211.128843 157.3
[M+K]+ 232.058178 145.4
[M+H-H2O]+ 176.092280 138.1
[M+HCOO]- 238.093221 154.2
[M+CH3COO]- 252.108871 170.3
[M+Na-2H]- 214.069686 143.3
[M]+ 193.09447142 136.0
[M]- 193.09556858 136.0
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