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]+ 156.05899 130.7
[M+Na]+ 178.04093 143.8
[M+NH4]+ 173.08553 139.1
[M+K]+ 194.01487 135.9
[M-H]- 154.04443 132.7
[M+Na-2H]- 176.02638 136.7
[M]+ 155.05116 133.6
[M]- 155.05226 133.6
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.