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 128.8
[M+Na]+ 178.04093 140.1
[M-H]- 154.04443 130.6
[M+NH4]+ 173.08553 148.2
[M+K]+ 194.01487 136.3
[M+H-H2O]+ 138.04897 122.5
[M+HCOO]- 200.04991 146.9
[M+CH3COO]- 214.06556 178.2
[M+Na-2H]- 176.02638 132.2
[M]+ 155.05116 129.4
[M]- 155.05226 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.