CID 71464100

1234616-47-7

Structural Information

Molecular Formula

C₉H₇BrN₂O₂

SMILES

COC(=O)C1=CC=CN2C1=NC=C2Br

InChI

InChI=1S/C9H7BrN2O2/c1-14-9(13)6-3-2-4-12-7(10)5-11-8(6)12/h2-5H,1H3

InChIKey

YENHYUCNQOSJPZ-UHFFFAOYSA-N

Compound name

methyl 3-bromoimidazo[1,2-a]pyridine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 253.96909 Da
Monoisotopic Mass: 2.6
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]+	254.976366	143.6
[M+Na]+	276.958308	158.1
[M-H]-	252.961814	149.3
[M+NH4]+	272.002913	165.0
[M+K]+	292.932248	147.7
[M+H-H2O]+	236.966350	143.2
[M+HCOO]-	298.967291	165.0
[M+CH3COO]-	312.982941	189.5
[M+Na-2H]-	274.943756	151.7
[M]+	253.96854142	166.2
[M]-	253.96963858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe