CID 6410627

Brn 5735289

Structural Information

Molecular Formula
C6H6N4S
SMILES
CC1=CC2=C(N=C(S2)N)N=N1
InChI
InChI=1S/C6H6N4S/c1-3-2-4-5(10-9-3)8-6(7)11-4/h2H,1H3,(H2,7,8,10)
InChIKey
KIACRXRWKYZKKT-UHFFFAOYSA-N
Compound name
3-methyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.03131 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03859 129.0
[M+Na]+ 189.02053 142.1
[M-H]- 165.02403 130.8
[M+NH4]+ 184.06513 149.4
[M+K]+ 204.99447 138.4
[M+H-H2O]+ 149.02857 122.5
[M+HCOO]- 211.02951 148.2
[M+CH3COO]- 225.04516 143.5
[M+Na-2H]- 187.00598 135.0
[M]+ 166.03076 132.0
[M]- 166.03186 132.0
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.