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]+ 200.04883 148.8
[M+Na]+ 222.03077 160.6
[M-H]- 198.03427 152.8
[M+NH4]+ 217.07537 159.9
[M+K]+ 238.00471 156.2
[M+H-H2O]+ 182.03881 140.8
[M+HCOO]- 244.03975 164.8
[M+CH3COO]- 258.05540 183.2
[M+Na-2H]- 220.01622 153.7
[M]+ 199.04100 153.4
[M]- 199.04210 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.