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

literature stripe

Patent stripe

patents stripe