CID 139026647

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

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
COC(=O)C(CC1=CC(=NC=C1)Br)N
InChI
InChI=1S/C9H11BrN2O2/c1-14-9(13)7(11)4-6-2-3-12-8(10)5-6/h2-3,5,7H,4,11H2,1H3
InChIKey
WCUYLOXGJIHWSY-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(2-bromo-4-pyridinyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.0004 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.007676 147.6
[M+Na]+ 280.989618 157.7
[M-H]- 256.993124 152.0
[M+NH4]+ 276.034223 166.2
[M+K]+ 296.963558 147.2
[M+H-H2O]+ 240.997660 146.1
[M+HCOO]- 302.998601 167.4
[M+CH3COO]- 317.014251 193.3
[M+Na-2H]- 278.975066 152.9
[M]+ 257.99985142 165.9
[M]- 258.00094858 165.9
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