CID 6410623

Brn 5735836

Structural Information

Molecular Formula

C₇H₁₁N₃S

SMILES

CCSC1=C(N=NC(=C1)C)N

InChI

InChI=1S/C7H11N3S/c1-3-11-6-4-5(2)9-10-7(6)8/h4H,3H2,1-2H3,(H2,8,10)

InChIKey

PULSWKXBFKEEOS-UHFFFAOYSA-N

Compound name

4-ethylsulfanyl-6-methylpyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.06737 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]+	170.074646	133.6
[M+Na]+	192.056588	143.3
[M-H]-	168.060094	134.8
[M+NH4]+	187.101193	152.1
[M+K]+	208.030528	139.9
[M+H-H2O]+	152.064630	126.8
[M+HCOO]-	214.065571	151.3
[M+CH3COO]-	228.081221	180.9
[M+Na-2H]-	190.042036	137.3
[M]+	169.06682142	134.9
[M]-	169.06791858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.