CID 6410622

Brn 5734213

Structural Information

Molecular Formula
C6H9N3S
SMILES
CC1=CC(=C(N=N1)N)SC
InChI
InChI=1S/C6H9N3S/c1-4-3-5(10-2)6(7)9-8-4/h3H,1-2H3,(H2,7,9)
InChIKey
BYVILPMOVZAEDF-UHFFFAOYSA-N
Compound name
6-methyl-4-methylsulfanylpyridazin-3-amine
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 129.2
[M+Na]+ 178.04093 139.4
[M-H]- 154.04443 130.6
[M+NH4]+ 173.08553 148.3
[M+K]+ 194.01487 136.2
[M+H-H2O]+ 138.04897 122.6
[M+HCOO]- 200.04991 147.2
[M+CH3COO]- 214.06556 177.8
[M+Na-2H]- 176.02638 133.5
[M]+ 155.05116 130.2
[M]- 155.05226 130.2
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.