CID 131116961

1936039-76-7

Structural Information

Molecular Formula

C₆H₆BrN₃O

SMILES

C1CN2C=C(N=C2C(=O)N1)Br

InChI

InChI=1S/C6H6BrN3O/c7-4-3-10-2-1-8-6(11)5(10)9-4/h3H,1-2H2,(H,8,11)

InChIKey

NLOPAFJRKHHFKE-UHFFFAOYSA-N

Compound name

2-bromo-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 214.96942 Da
Monoisotopic Mass: 0.4
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]+	215.97670	136.4
[M+Na]+	237.95864	149.2
[M-H]-	213.96214	138.7
[M+NH4]+	233.00324	157.0
[M+K]+	253.93258	138.1
[M+H-H2O]+	197.96668	136.0
[M+HCOO]-	259.96762	152.7
[M+CH3COO]-	273.98327	150.8
[M+Na-2H]-	235.94409	143.7
[M]+	214.96887	152.0
[M]-	214.96997	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe