CID 55283262

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

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1=C(C=NC=C1N)CC(C(=O)O)N
InChI
InChI=1S/C8H11N3O2/c9-6-1-5(3-11-4-6)2-7(10)8(12)13/h1,3-4,7H,2,9-10H2,(H,12,13)
InChIKey
HMPIUHLYMRKTTH-UHFFFAOYSA-N
Compound name
2-amino-3-(5-aminopyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

181.08513 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 138.6
[M+Na]+ 204.07435 144.9
[M-H]- 180.07785 138.9
[M+NH4]+ 199.11895 155.3
[M+K]+ 220.04829 142.9
[M+H-H2O]+ 164.08239 131.7
[M+HCOO]- 226.08333 160.2
[M+CH3COO]- 240.09898 183.3
[M+Na-2H]- 202.05980 142.2
[M]+ 181.08458 134.5
[M]- 181.08568 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