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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.