CID 439982

Dihydrodipicolinic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1C=CC(=N[C@@H]1C(=O)O)C(=O)O
InChI
InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey
UWOCFOFVIBZJGH-YFKPBYRVSA-N
Compound name
(2S)-2,3-dihydropyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

62
References

2299
Patents

169.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 131.5
[M+Na]+ 192.026718 138.6
[M-H]- 168.030224 131.2
[M+NH4]+ 187.071323 148.9
[M+K]+ 208.000658 137.4
[M+H-H2O]+ 152.034760 125.6
[M+HCOO]- 214.035701 150.2
[M+CH3COO]- 228.051351 172.5
[M+Na-2H]- 190.012166 135.7
[M]+ 169.03695142 129.5
[M]- 169.03804858 129.5
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.