CID 23084290

701298-95-5

Structural Information

Molecular Formula

C₈H₁₁BrN₂

SMILES

CC1=C(N2CCCCC2=N1)Br

InChI

InChI=1S/C8H11BrN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H2,1H3

InChIKey

GSIJQBIKDGLFAC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 214.01056 Da
Monoisotopic Mass: 2.2
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]+	215.017836	140.2
[M+Na]+	236.999778	152.6
[M-H]-	213.003284	144.9
[M+NH4]+	232.044383	163.1
[M+K]+	252.973718	142.1
[M+H-H2O]+	197.007820	140.1
[M+HCOO]-	259.008761	158.3
[M+CH3COO]-	273.024411	155.3
[M+Na-2H]-	234.985226	147.0
[M]+	214.01001142	157.1
[M]-	214.01110858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe