CID 440179

(s)-2,3,4,5-tetrahydrodipicolinic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1C[C@H](N=C(C1)C(=O)O)C(=O)O
InChI
InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKey
CXMBCXQHOXUCEO-BYPYZUCNSA-N
Compound name
(2S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

500
Patents

171.05316 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 133.3
[M+Na]+ 194.042378 139.4
[M-H]- 170.045884 132.7
[M+NH4]+ 189.086983 150.5
[M+K]+ 210.016318 138.4
[M+H-H2O]+ 154.050420 127.5
[M+HCOO]- 216.051361 150.6
[M+CH3COO]- 230.067011 172.9
[M+Na-2H]- 192.027826 136.5
[M]+ 171.05261142 129.9
[M]- 171.05370858 129.9
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.