CID 5747085

82608-23-9

Structural Information

Molecular Formula
C6H5N3OS
SMILES
CC1=CC2=C(NC(=O)S2)N=N1
InChI
InChI=1S/C6H5N3OS/c1-3-2-4-5(9-8-3)7-6(10)11-4/h2H,1H3,(H,7,9,10)
InChIKey
VSXALNAJXCWELK-UHFFFAOYSA-N
Compound name
3-methyl-7H-[1,3]thiazolo[4,5-c]pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.01534 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02262 128.7
[M+Na]+ 190.00456 142.4
[M-H]- 166.00806 129.8
[M+NH4]+ 185.04916 148.9
[M+K]+ 205.97850 138.3
[M+H-H2O]+ 150.01260 122.8
[M+HCOO]- 212.01354 146.5
[M+CH3COO]- 226.02919 143.2
[M+Na-2H]- 187.99001 134.6
[M]+ 167.01479 132.3
[M]- 167.01589 132.3
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.