CID 3068011

Pyridazinium, 3-amino-1,6-dimethyl-4-mercapto-

Structural Information

Molecular Formula
C6H9N3S
SMILES
CC1=CC(=S)C(=NN1C)N
InChI
InChI=1S/C6H9N3S/c1-4-3-5(10)6(7)8-9(4)2/h3H,1-2H3,(H2,7,8)
InChIKey
AAGTZVMHWKDZGW-UHFFFAOYSA-N
Compound name
3-amino-1,6-dimethylpyridazine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.058986 128.8
[M+Na]+ 178.040928 140.1
[M-H]- 154.044434 130.6
[M+NH4]+ 173.085533 148.2
[M+K]+ 194.014868 136.3
[M+H-H2O]+ 138.048970 122.5
[M+HCOO]- 200.049911 146.9
[M+CH3COO]- 214.065561 178.2
[M+Na-2H]- 176.026376 132.2
[M]+ 155.05116142 129.4
[M]- 155.05225858 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.