CID 14118999

1123169-25-4

Structural Information

Molecular Formula

C₅H₅BrN₂O

SMILES

CN1C(=O)C=CC(=N1)Br

InChI

InChI=1S/C5H5BrN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3

InChIKey

KDZJDTWUSLHWQN-UHFFFAOYSA-N

Compound name

6-bromo-2-methylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 187.95853 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]+	188.965806	123.4
[M+Na]+	210.947748	137.8
[M-H]-	186.951254	128.1
[M+NH4]+	205.992353	144.8
[M+K]+	226.921688	127.5
[M+H-H2O]+	170.955790	123.4
[M+HCOO]-	232.956731	144.8
[M+CH3COO]-	246.972381	178.9
[M+Na-2H]-	208.933196	133.8
[M]+	187.95798142	143.1
[M]-	187.95907858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe