CID 10081037

2-amino-3-(2-hydroxypyridin-4-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1=CNC(=O)C=C1CC(C(=O)O)N
InChI
InChI=1S/C8H10N2O3/c9-6(8(12)13)3-5-1-2-10-7(11)4-5/h1-2,4,6H,3,9H2,(H,10,11)(H,12,13)
InChIKey
MNNKGGLOPMHVRG-UHFFFAOYSA-N
Compound name
2-amino-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

182.06914 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 137.0
[M+Na]+ 205.058358 143.9
[M-H]- 181.061864 136.4
[M+NH4]+ 200.102963 153.4
[M+K]+ 221.032298 141.3
[M+H-H2O]+ 165.066400 130.6
[M+HCOO]- 227.067341 157.0
[M+CH3COO]- 241.082991 177.6
[M+Na-2H]- 203.043806 140.8
[M]+ 182.06859142 133.5
[M]- 182.06968858 133.5
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

patents stripe