CID 83886933

2377033-80-0

Structural Information

Molecular Formula

C₇H₁₀BrN₃

SMILES

CN1CCN2C(=NC=C2Br)C1

InChI

InChI=1S/C7H10BrN3/c1-10-2-3-11-6(8)4-9-7(11)5-10/h4H,2-3,5H2,1H3

InChIKey

KBHXHPCBXXSEEJ-UHFFFAOYSA-N

Compound name

3-bromo-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.00581 Da
Monoisotopic Mass: 0.6
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]+	216.01309	138.8
[M+Na]+	237.99503	151.6
[M-H]-	213.99853	142.3
[M+NH4]+	233.03963	160.4
[M+K]+	253.96897	141.3
[M+H-H2O]+	198.00307	138.1
[M+HCOO]-	260.00401	155.9
[M+CH3COO]-	274.01966	153.6
[M+Na-2H]-	235.98048	146.0
[M]+	215.00526	155.8
[M]-	215.00636	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe