CID 122618

3,4,5-piperidinetriol, 2-methyl-, (2s,3r,4s,5r)-

Structural Information

Molecular Formula
C6H13NO3
SMILES
C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O
InChI
InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
InChIKey
VYOCYWDJTQRZLC-KCDKBNATSA-N
Compound name
(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

150
Patents

147.08954 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 132.2
[M+Na]+ 170.07876 138.8
[M-H]- 146.08226 129.1
[M+NH4]+ 165.12336 149.8
[M+K]+ 186.05270 136.1
[M+H-H2O]+ 130.08680 127.4
[M+HCOO]- 192.08774 146.5
[M+CH3COO]- 206.10339 165.6
[M+Na-2H]- 168.06421 134.7
[M]+ 147.08899 125.2
[M]- 147.09009 125.2
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