CID 22326272

2-amino-3-(2-bromopyridin-4-yl)propanoic acid dihydrobromide

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
C1=CN=C(C=C1CC(C(=O)O)N)Br
InChI
InChI=1S/C8H9BrN2O2/c9-7-4-5(1-2-11-7)3-6(10)8(12)13/h1-2,4,6H,3,10H2,(H,12,13)
InChIKey
ZXRSFYYBYBBZQH-UHFFFAOYSA-N
Compound name
2-amino-3-(2-bromo-4-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

243.98474 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 143.6
[M+Na]+ 266.973958 153.6
[M-H]- 242.977464 146.8
[M+NH4]+ 262.018563 161.9
[M+K]+ 282.947898 142.4
[M+H-H2O]+ 226.982000 142.4
[M+HCOO]- 288.982941 162.2
[M+CH3COO]- 302.998591 188.8
[M+Na-2H]- 264.959406 148.9
[M]+ 243.98419142 159.8
[M]- 243.98528858 159.8
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