CID 3036651

3-amino-4-mercapto-6-methylpyridazine

Structural Information

Molecular Formula
C5H7N3S
SMILES
CC1=CC(=S)C(=NN1)N
InChI
InChI=1S/C5H7N3S/c1-3-2-4(9)5(6)8-7-3/h2H,1H3,(H2,6,8)(H,7,9)
InChIKey
JTHLLGLZDYRCRX-UHFFFAOYSA-N
Compound name
3-amino-6-methyl-1H-pyridazine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

141.03607 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04335 125.9
[M+Na]+ 164.02529 138.3
[M+NH4]+ 159.06989 134.1
[M+K]+ 179.99923 130.8
[M-H]- 140.02879 127.3
[M+Na-2H]- 162.01074 131.8
[M]+ 141.03552 128.3
[M]- 141.03662 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe