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 142.3
[M+Na]+ 220.08788 151.1
[M-H]- 196.09138 143.1
[M+NH4]+ 215.13248 159.7
[M+K]+ 236.06182 147.3
[M+H-H2O]+ 180.09592 135.1
[M+HCOO]- 242.09686 159.3
[M+CH3COO]- 256.11251 186.9
[M+Na-2H]- 218.07333 145.1
[M]+ 197.09811 144.3
[M]- 197.09921 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.