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-hydroxypyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.06914 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 137.8
[M+Na]+ 205.05836 144.4
[M-H]- 181.06186 137.1
[M+NH4]+ 200.10296 154.2
[M+K]+ 221.03230 142.4
[M+H-H2O]+ 165.06640 131.3
[M+HCOO]- 227.06734 157.6
[M+CH3COO]- 241.08299 178.4
[M+Na-2H]- 203.04381 141.6
[M]+ 182.06859 135.0
[M]- 182.06969 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