CID 99386

3,6-bis(methylthio)pyridazine

Structural Information

Molecular Formula

C₆H₈N₂S₂

SMILES

CSC1=NN=C(C=C1)SC

InChI

InChI=1S/C6H8N2S2/c1-9-5-3-4-6(10-2)8-7-5/h3-4H,1-2H3

InChIKey

BCPWVUPUCCLLBA-UHFFFAOYSA-N

Compound name

3,6-bis(methylsulfanyl)pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 172.0129 Da
Monoisotopic Mass: 1.9
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]+	173.020176	128.6
[M+Na]+	195.002118	138.9
[M-H]-	171.005624	130.0
[M+NH4]+	190.046723	147.5
[M+K]+	210.976058	134.9
[M+H-H2O]+	155.010160	122.3
[M+HCOO]-	217.011101	140.6
[M+CH3COO]-	231.026751	177.7
[M+Na-2H]-	192.987566	131.5
[M]+	172.01235142	131.6
[M]-	172.01344858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe