CID 123186006

Methyl 5-bromo-3-ethylpyridine-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

CCC1=C(N=CC(=C1)Br)C(=O)OC

InChI

InChI=1S/C9H10BrNO2/c1-3-6-4-7(10)5-11-8(6)9(12)13-2/h4-5H,3H2,1-2H3

InChIKey

MFRRERYJSZOCQH-UHFFFAOYSA-N

Compound name

methyl 5-bromo-3-ethylpyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.98949 Da
Monoisotopic Mass: 2.5
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]+	243.99677	142.7
[M+Na]+	265.97871	146.4
[M+NH4]+	261.02331	146.9
[M+K]+	281.95265	146.8
[M-H]-	241.98221	142.5
[M+Na-2H]-	263.96416	146.0
[M]+	242.98894	141.9
[M]-	242.99004	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe