CID 5260648

2694728-72-6

Structural Information

Molecular Formula

C₉H₇BrN₂O₂

SMILES

CC1=CC(=CN2C1=NC(=C2)C(=O)O)Br

InChI

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

InChIKey

WFFIWTWLWKGLPB-UHFFFAOYSA-N

Compound name

6-bromo-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 253.96909 Da
Monoisotopic Mass: 2.7
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	144.0
[M+Na]+	276.958308	158.7
[M-H]-	252.961814	148.7
[M+NH4]+	272.002913	164.8
[M+K]+	292.932248	147.4
[M+H-H2O]+	236.966350	143.9
[M+HCOO]-	298.967291	163.8
[M+CH3COO]-	312.982941	188.9
[M+Na-2H]-	274.943756	151.0
[M]+	253.96854142	165.2
[M]-	253.96963858	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe