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]+ 198.10594 143.3
[M+Na]+ 220.08788 155.4
[M+NH4]+ 215.13248 151.5
[M+K]+ 236.06182 146.8
[M-H]- 196.09138 145.4
[M+Na-2H]- 218.07333 149.0
[M]+ 197.09811 146.0
[M]- 197.09921 146.0
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.