CID 445612

(3r,4s,5s)-piperidine-3,4,5-triol

Structural Information

Molecular Formula
C5H11NO3
SMILES
C1[C@H](C([C@H](CN1)O)O)O
InChI
InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5?
InChIKey
RMCNETIHECSPMZ-NGQZWQHPSA-N
Compound name
(3R,5S)-piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

207
Patents

133.0739 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.8
[M+Na]+ 156.06312 133.9
[M-H]- 132.06662 124.5
[M+NH4]+ 151.10772 145.7
[M+K]+ 172.03706 131.4
[M+H-H2O]+ 116.07116 122.9
[M+HCOO]- 178.07210 142.5
[M+CH3COO]- 192.08775 161.3
[M+Na-2H]- 154.04857 131.6
[M]+ 133.07335 120.1
[M]- 133.07445 120.1
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