CID 452016

2s,3r,4r-3,4-dihydroxypipecolic acid

Structural Information

Molecular Formula
C6H11NO4
SMILES
C1CN[C@@H]([C@H]([C@@H]1O)O)C(=O)O
InChI
InChI=1S/C6H11NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m1/s1
InChIKey
SUCGXPHEYBRFIL-WISUUJSJSA-N
Compound name
(2S,3R,4R)-3,4-dihydroxypiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

161.0688 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07608 133.6
[M+Na]+ 184.05802 139.1
[M-H]- 160.06152 130.1
[M+NH4]+ 179.10262 150.1
[M+K]+ 200.03196 136.9
[M+H-H2O]+ 144.06606 128.4
[M+HCOO]- 206.06700 147.4
[M+CH3COO]- 220.08265 166.7
[M+Na-2H]- 182.04347 135.7
[M]+ 161.06825 126.3
[M]- 161.06935 126.3
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