CID 18758393

1384565-00-7

Structural Information

Molecular Formula
C7H16N2O2S
SMILES
CNC1CCN(CC1)S(=O)(=O)C
InChI
InChI=1S/C7H16N2O2S/c1-8-7-3-5-9(6-4-7)12(2,10)11/h7-8H,3-6H2,1-2H3
InChIKey
VCBIBMMEIOUYBB-UHFFFAOYSA-N
Compound name
N-methyl-1-methylsulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

192.09325 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.100526 140.5
[M+Na]+ 215.082468 146.5
[M-H]- 191.085974 142.2
[M+NH4]+ 210.127073 158.8
[M+K]+ 231.056408 144.7
[M+H-H2O]+ 175.090510 134.4
[M+HCOO]- 237.091451 154.9
[M+CH3COO]- 251.107101 181.6
[M+Na-2H]- 213.067916 143.9
[M]+ 192.09270142 138.6
[M]- 192.09379858 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe