CID 67373549

6-(methylsulfonyl)pyridazin-3-amine

Structural Information

Molecular Formula

C₅H₇N₃O₂S

SMILES

CS(=O)(=O)C1=NN=C(C=C1)N

InChI

InChI=1S/C5H7N3O2S/c1-11(9,10)5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7)

InChIKey

DFILSRYYRSYGIQ-UHFFFAOYSA-N

Compound name

6-methylsulfonylpyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 173.0259 Da
Monoisotopic Mass: -0.9
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]+	174.03318	132.5
[M+Na]+	196.01512	142.8
[M-H]-	172.01862	134.0
[M+NH4]+	191.05972	150.3
[M+K]+	211.98906	139.9
[M+H-H2O]+	156.02316	126.1
[M+HCOO]-	218.02410	150.1
[M+CH3COO]-	232.03975	176.5
[M+Na-2H]-	194.00057	138.6
[M]+	173.02535	133.5
[M]-	173.02645	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe