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

950
Patents

178.0776 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08488 137.0
[M+Na]+ 201.06682 144.5
[M-H]- 177.07032 137.7
[M+NH4]+ 196.11142 155.0
[M+K]+ 217.04076 143.0
[M+H-H2O]+ 161.07486 130.8
[M+HCOO]- 223.07580 149.6
[M+CH3COO]- 237.09145 176.5
[M+Na-2H]- 199.05227 140.2
[M]+ 178.07705 136.1
[M]- 178.07815 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