CID 137698969

2106254-15-1

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂O₂

SMILES

CCOC(=O)CC1=C(N2C=CC=CC2=N1)Br

InChI

InChI=1S/C11H11BrN2O2/c1-2-16-10(15)7-8-11(12)14-6-4-3-5-9(14)13-8/h3-6H,2,7H2,1H3

InChIKey

SOFHRTHUUSBVFM-UHFFFAOYSA-N

Compound name

ethyl 2-(3-bromoimidazo[1,2-a]pyridin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.0004 Da
Monoisotopic Mass: 3.0
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]+	283.007676	153.0
[M+Na]+	304.989618	166.6
[M-H]-	280.993124	158.4
[M+NH4]+	300.034223	173.3
[M+K]+	320.963558	155.8
[M+H-H2O]+	264.997660	152.2
[M+HCOO]-	326.998601	173.7
[M+CH3COO]-	341.014251	195.1
[M+Na-2H]-	302.975066	160.1
[M]+	281.99985142	176.2
[M]-	282.00094858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.