CID 137944249

2287285-15-6

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
CS(=O)(=O)C1=C2CNCCN2N=C1
InChI
InChI=1S/C7H11N3O2S/c1-13(11,12)7-5-9-10-3-2-8-4-6(7)10/h5,8H,2-4H2,1H3
InChIKey
ZDMMDHVSMTZEOV-UHFFFAOYSA-N
Compound name
3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0572 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06448 142.6
[M+Na]+ 224.04642 152.1
[M-H]- 200.04992 142.1
[M+NH4]+ 219.09102 160.6
[M+K]+ 240.02036 148.9
[M+H-H2O]+ 184.05446 136.6
[M+HCOO]- 246.05540 154.4
[M+CH3COO]- 260.07105 176.9
[M+Na-2H]- 222.03187 146.6
[M]+ 201.05665 142.1
[M]- 201.05775 142.1
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.