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-bromopyridin-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

286.03168 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03896 156.8
[M+Na]+ 309.02090 166.0
[M-H]- 285.02440 160.8
[M+NH4]+ 304.06550 174.3
[M+K]+ 324.99484 155.0
[M+H-H2O]+ 269.02894 154.9
[M+HCOO]- 331.02988 175.9
[M+CH3COO]- 345.04553 198.9
[M+Na-2H]- 307.00635 161.0
[M]+ 286.03113 175.7
[M]- 286.03223 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