CID 129944996

2-amino-3-(2,3-dibromopyridin-4-yl)propanoic acid dihydrobromide

Structural Information

Molecular Formula
C8H8Br2N2O2
SMILES
C1=CN=C(C(=C1CC(C(=O)O)N)Br)Br
InChI
InChI=1S/C8H8Br2N2O2/c9-6-4(1-2-12-7(6)10)3-5(11)8(13)14/h1-2,5H,3,11H2,(H,13,14)
InChIKey
YKRAAFBCSSHBDZ-UHFFFAOYSA-N
Compound name
2-amino-3-(2,3-dibromopyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

321.89526 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.90254 145.2
[M+Na]+ 344.88448 154.7
[M-H]- 320.88798 149.3
[M+NH4]+ 339.92908 161.2
[M+K]+ 360.85842 138.6
[M+H-H2O]+ 304.89252 151.5
[M+HCOO]- 366.89346 158.8
[M+CH3COO]- 380.90911 206.4
[M+Na-2H]- 342.86993 149.8
[M]+ 321.89471 177.3
[M]- 321.89581 177.3
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