CID 122047

Beta-(5-hydroxy-2-pyridyl)alanine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

31
References

63
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

literature stripe

Patent stripe

patents stripe