CID 162716849

Ethyl 2-amino-3-(2,3-dibromopyridin-4-yl)propanoate

Structural Information

Molecular Formula
C10H12Br2N2O2
SMILES
CCOC(=O)C(CC1=C(C(=NC=C1)Br)Br)N
InChI
InChI=1S/C10H12Br2N2O2/c1-2-16-10(15)7(13)5-6-3-4-14-9(12)8(6)11/h3-4,7H,2,5,13H2,1H3
InChIKey
DIPJHRDQGXDCKH-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(2,3-dibromopyridin-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

349.92654 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.93382 152.4
[M+Na]+ 372.91576 161.7
[M-H]- 348.91926 157.4
[M+NH4]+ 367.96036 168.2
[M+K]+ 388.88970 145.9
[M+H-H2O]+ 332.92380 158.4
[M+HCOO]- 394.92474 166.6
[M+CH3COO]- 408.94039 212.3
[M+Na-2H]- 370.90121 156.6
[M]+ 349.92599 186.4
[M]- 349.92709 186.4
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