CID 132353751

2138569-78-3

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O₂

SMILES

CCOC(=O)C1=C(N2CCCCC2=N1)Br

InChI

InChI=1S/C10H13BrN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h2-6H2,1H3

InChIKey

IFJUSXGYOHMHSF-UHFFFAOYSA-N

Compound name

ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 272.01605 Da
Monoisotopic Mass: 2.3
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]+	273.02333	153.9
[M+Na]+	295.00527	165.1
[M-H]-	271.00877	158.3
[M+NH4]+	290.04987	174.2
[M+K]+	310.97921	154.9
[M+H-H2O]+	255.01331	153.2
[M+HCOO]-	317.01425	170.8
[M+CH3COO]-	331.02990	193.2
[M+Na-2H]-	292.99072	158.5
[M]+	272.01550	172.7
[M]-	272.01660	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe