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

literature stripe

Patent stripe

patents stripe