CID 22326309

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

182.06914 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 137.0
[M+Na]+ 205.05836 143.9
[M-H]- 181.06186 136.4
[M+NH4]+ 200.10296 153.4
[M+K]+ 221.03230 141.3
[M+H-H2O]+ 165.06640 130.6
[M+HCOO]- 227.06734 157.0
[M+CH3COO]- 241.08299 177.6
[M+Na-2H]- 203.04381 140.8
[M]+ 182.06859 133.5
[M]- 182.06969 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