CID 28054474

943419-35-0

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂O₂

SMILES

CCOC(=O)/C=C/C1=C(N=CC(=C1)Br)N

InChI

InChI=1S/C10H11BrN2O2/c1-2-15-9(14)4-3-7-5-8(11)6-13-10(7)12/h3-6H,2H2,1H3,(H2,12,13)/b4-3+

InChIKey

HSKGBWXXHWXUPV-ONEGZZNKSA-N

Compound name

ethyl (E)-3-(2-amino-5-bromo-3-pyridinyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 270.0004 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.007676	149.9
[M+Na]+	292.989618	161.1
[M-H]-	268.993124	154.5
[M+NH4]+	288.034223	168.4
[M+K]+	308.963558	149.3
[M+H-H2O]+	252.997660	148.4
[M+HCOO]-	314.998601	170.5
[M+CH3COO]-	329.014251	195.0
[M+Na-2H]-	290.975066	155.3
[M]+	269.99985142	168.8
[M]-	270.00094858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe