CID 154668289

2172597-03-2

Structural Information

Molecular Formula

C₇H₈BrN₃O

SMILES

CN1CCN2C(=CC(=N2)Br)C1=O

InChI

InChI=1S/C7H8BrN3O/c1-10-2-3-11-5(7(10)12)4-6(8)9-11/h4H,2-3H2,1H3

InChIKey

KUIYHDVFADPRSM-UHFFFAOYSA-N

Compound name

2-bromo-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 228.98508 Da
Monoisotopic Mass: 0.8
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]+	229.99236	139.9
[M+Na]+	251.97430	153.6
[M-H]-	227.97780	143.7
[M+NH4]+	247.01890	161.0
[M+K]+	267.94824	143.1
[M+H-H2O]+	211.98234	139.3
[M+HCOO]-	273.98328	157.3
[M+CH3COO]-	287.99893	186.5
[M+Na-2H]-	249.95975	146.5
[M]+	228.98453	157.9
[M]-	228.98563	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe