CID 55295331

2-amino-3-(6-aminopyridin-2-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1=CC(=NC(=C1)N)CC(C(=O)O)N
InChI
InChI=1S/C8H11N3O2/c9-6(8(12)13)4-5-2-1-3-7(10)11-5/h1-3,6H,4,9H2,(H2,10,11)(H,12,13)
InChIKey
XKSKSDXAPQRGAB-UHFFFAOYSA-N
Compound name
2-amino-3-(6-amino-2-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

181.08513 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 138.6
[M+Na]+ 204.074348 144.9
[M-H]- 180.077854 138.9
[M+NH4]+ 199.118953 155.3
[M+K]+ 220.048288 142.9
[M+H-H2O]+ 164.082390 131.7
[M+HCOO]- 226.083331 160.2
[M+CH3COO]- 240.098981 183.3
[M+Na-2H]- 202.059796 142.2
[M]+ 181.08458142 134.5
[M]- 181.08567858 134.5
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