CID 155389575

Propyl 2-amino-3-(2-bromopyridin-4-yl)propanoate

Structural Information

Molecular Formula
C11H15BrN2O2
SMILES
CCCOC(=O)C(CC1=CC(=NC=C1)Br)N
InChI
InChI=1S/C11H15BrN2O2/c1-2-5-16-11(15)9(13)6-8-3-4-14-10(12)7-8/h3-4,7,9H,2,5-6,13H2,1H3
InChIKey
SBVHHMHKCCPKCD-UHFFFAOYSA-N
Compound name
propyl 2-amino-3-(2-bromo-4-pyridinyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.03168 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.038956 156.8
[M+Na]+ 309.020898 166.0
[M-H]- 285.024404 160.8
[M+NH4]+ 304.065503 174.3
[M+K]+ 324.994838 155.0
[M+H-H2O]+ 269.028940 154.9
[M+HCOO]- 331.029881 175.9
[M+CH3COO]- 345.045531 198.9
[M+Na-2H]- 307.006346 161.0
[M]+ 286.03113142 175.7
[M]- 286.03222858 175.7
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