CID 90238160

Methyl 3-(6-bromopyridin-3-yl)propanoate

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

COC(=O)CCC1=CN=C(C=C1)Br

InChI

InChI=1S/C9H10BrNO2/c1-13-9(12)5-3-7-2-4-8(10)11-6-7/h2,4,6H,3,5H2,1H3

InChIKey

KYKGGQGXJGGAQD-UHFFFAOYSA-N

Compound name

methyl 3-(6-bromopyridin-3-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 242.98949 Da
Monoisotopic Mass: 2.0
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	143.3
[M+Na]+	265.97871	146.6
[M+NH4]+	261.02331	147.4
[M+K]+	281.95265	146.8
[M-H]-	241.98221	142.9
[M+Na-2H]-	263.96416	146.6
[M]+	242.98894	142.4
[M]-	242.99004	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe