CID 3034166

5788-46-5

Structural Information

Molecular Formula
C4H5N3S
SMILES
C1=CC(=S)NN=C1N
InChI
InChI=1S/C4H5N3S/c5-3-1-2-4(8)7-6-3/h1-2H,(H2,5,6)(H,7,8)
InChIKey
TYYPBSNYNAWEOC-UHFFFAOYSA-N
Compound name
3-amino-1H-pyridazine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

127.02042 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02770 120.5
[M+Na]+ 150.00964 130.5
[M-H]- 126.01314 120.4
[M+NH4]+ 145.05424 139.6
[M+K]+ 165.98358 126.3
[M+H-H2O]+ 110.01768 114.4
[M+HCOO]- 172.01862 137.8
[M+CH3COO]- 186.03427 167.3
[M+Na-2H]- 147.99509 125.9
[M]+ 127.01987 117.7
[M]- 127.02097 117.7
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

patents stripe