CID 253195

90000-77-4

Structural Information

Molecular Formula
C7H9N3O2S
SMILES
CS(=O)(=O)C1=NN=C(C=C1)N2CC2
InChI
InChI=1S/C7H9N3O2S/c1-13(11,12)7-3-2-6(8-9-7)10-4-5-10/h2-3H,4-5H2,1H3
InChIKey
RCUUFXVUMPGRAN-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-6-methylsulfonylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04155 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.048826 148.8
[M+Na]+ 222.030768 160.6
[M-H]- 198.034274 152.8
[M+NH4]+ 217.075373 159.9
[M+K]+ 238.004708 156.2
[M+H-H2O]+ 182.038810 140.8
[M+HCOO]- 244.039751 164.8
[M+CH3COO]- 258.055401 183.2
[M+Na-2H]- 220.016216 153.7
[M]+ 199.04100142 153.4
[M]- 199.04209858 153.4
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.