CID 3048304

63901-43-9

Structural Information

Molecular Formula
C6H10N4O3S
SMILES
CN1C(=O)C(=C(C=N1)S(=O)(=O)C)NN
InChI
InChI=1S/C6H10N4O3S/c1-10-6(11)5(9-7)4(3-8-10)14(2,12)13/h3,9H,7H2,1-2H3
InChIKey
DFUKIRXEWZNITQ-UHFFFAOYSA-N
Compound name
4-hydrazinyl-2-methyl-5-methylsulfonylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.04736 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05464 143.6
[M+Na]+ 241.03658 154.1
[M-H]- 217.04008 145.3
[M+NH4]+ 236.08118 159.5
[M+K]+ 257.01052 150.7
[M+H-H2O]+ 201.04462 136.7
[M+HCOO]- 263.04556 161.9
[M+CH3COO]- 277.06121 188.6
[M+Na-2H]- 239.02203 148.4
[M]+ 218.04681 145.5
[M]- 218.04791 145.5
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.