CID 13062969

3,5-dibromo-1-methyl-1h-pyrazin-2-one

Structural Information

Molecular Formula

C₅H₄Br₂N₂O

SMILES

CN1C=C(N=C(C1=O)Br)Br

InChI

InChI=1S/C5H4Br2N2O/c1-9-2-3(6)8-4(7)5(9)10/h2H,1H3

InChIKey

LNVJQIHAUHVGEV-UHFFFAOYSA-N

Compound name

3,5-dibromo-1-methylpyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 279
Patents: 265.86905 Da
Monoisotopic Mass: 1.5
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]+	266.876326	122.8
[M+Na]+	288.858268	136.4
[M-H]-	264.861774	128.5
[M+NH4]+	283.902873	141.7
[M+K]+	304.832208	121.4
[M+H-H2O]+	248.866310	131.1
[M+HCOO]-	310.867251	139.1
[M+CH3COO]-	324.882901	198.4
[M+Na-2H]-	286.843716	132.4
[M]+	265.86850142	158.1
[M]-	265.86959858	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe