CID 55282496

2-amino-3-(5-hydroxypyridin-3-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1=C(C=NC=C1O)CC(C(=O)O)N
InChI
InChI=1S/C8H10N2O3/c9-7(8(12)13)2-5-1-6(11)4-10-3-5/h1,3-4,7,11H,2,9H2,(H,12,13)
InChIKey
AHXORTMRHJMLCF-UHFFFAOYSA-N
Compound name
2-amino-3-(5-hydroxy-3-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.06914 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 137.8
[M+Na]+ 205.058358 144.4
[M-H]- 181.061864 137.1
[M+NH4]+ 200.102963 154.2
[M+K]+ 221.032298 142.4
[M+H-H2O]+ 165.066400 131.3
[M+HCOO]- 227.067341 157.6
[M+CH3COO]- 241.082991 178.4
[M+Na-2H]- 203.043806 141.6
[M]+ 182.06859142 135.0
[M]- 182.06968858 135.0
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