CID 817770

59039-17-7

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
CN1CCN(CC1)S(=O)(=O)C
InChI
InChI=1S/C6H14N2O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H2,1-2H3
InChIKey
YDOGEBDDNZDNJY-UHFFFAOYSA-N
Compound name
1-methyl-4-methylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

957
Patents

178.0776 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.084876 137.0
[M+Na]+ 201.066818 144.5
[M-H]- 177.070324 137.7
[M+NH4]+ 196.111423 155.0
[M+K]+ 217.040758 143.0
[M+H-H2O]+ 161.074860 130.8
[M+HCOO]- 223.075801 149.6
[M+CH3COO]- 237.091451 176.5
[M+Na-2H]- 199.052266 140.2
[M]+ 178.07705142 136.1
[M]- 178.07814858 136.1
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

patents stripe