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]+ 202.064476 142.6
[M+Na]+ 224.046418 152.1
[M-H]- 200.049924 142.1
[M+NH4]+ 219.091023 160.6
[M+K]+ 240.020358 148.9
[M+H-H2O]+ 184.054460 136.6
[M+HCOO]- 246.055401 154.4
[M+CH3COO]- 260.071051 176.9
[M+Na-2H]- 222.031866 146.6
[M]+ 201.05665142 142.1
[M]- 201.05774858 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.