CID 53323638

(2s,4s)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate

Structural Information

Molecular Formula
C7H9NO5
SMILES
C1[C@@H](CC(=N[C@@H]1C(=O)O)C(=O)O)O
InChI
InChI=1S/C7H9NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1
InChIKey
DVTPRYHENFBCII-IMJSIDKUSA-N
Compound name
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

293
Patents

187.04807 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05535 136.1
[M+Na]+ 210.03729 142.5
[M-H]- 186.04079 134.3
[M+NH4]+ 205.08189 152.1
[M+K]+ 226.01123 141.3
[M+H-H2O]+ 170.04533 130.5
[M+HCOO]- 232.04627 152.0
[M+CH3COO]- 246.06192 174.1
[M+Na-2H]- 208.02274 138.1
[M]+ 187.04752 132.6
[M]- 187.04862 132.6
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