CID 6410624

Brn 5738644

Structural Information

Molecular Formula
C9H15N3S
SMILES
CCCCSC1=C(N=NC(=C1)C)N
InChI
InChI=1S/C9H15N3S/c1-3-4-5-13-8-6-7(2)11-12-9(8)10/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKey
RPXBIRSOKGGPES-UHFFFAOYSA-N
Compound name
4-butylsulfanyl-6-methylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09866 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 142.3
[M+Na]+ 220.087878 151.1
[M-H]- 196.091384 143.1
[M+NH4]+ 215.132483 159.7
[M+K]+ 236.061818 147.3
[M+H-H2O]+ 180.095920 135.1
[M+HCOO]- 242.096861 159.3
[M+CH3COO]- 256.112511 186.9
[M+Na-2H]- 218.073326 145.1
[M]+ 197.09811142 144.3
[M]- 197.09920858 144.3
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.