CID 10632641

186792-13-2

Structural Information

Molecular Formula

C₆H₇BrN₂O₂

SMILES

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

InChI

InChI=1S/C6H7BrN2O2/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3

InChIKey

HSDCWFJCXPJONV-UHFFFAOYSA-N

Compound name

4-bromo-5-methoxy-2-methylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 217.96909 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]+	218.976366	130.1
[M+Na]+	240.958308	144.8
[M-H]-	216.961814	135.0
[M+NH4]+	236.002913	150.5
[M+K]+	256.932248	134.7
[M+H-H2O]+	200.966350	129.8
[M+HCOO]-	262.967291	151.3
[M+CH3COO]-	276.982941	184.8
[M+Na-2H]-	238.943756	139.2
[M]+	217.96854142	151.8
[M]-	217.96963858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe