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: 111
Patents: 192.09325 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.10053	140.5
[M+Na]+	215.08247	146.5
[M-H]-	191.08597	142.2
[M+NH4]+	210.12707	158.8
[M+K]+	231.05641	144.7
[M+H-H2O]+	175.09051	134.4
[M+HCOO]-	237.09145	154.9
[M+CH3COO]-	251.10710	181.6
[M+Na-2H]-	213.06792	143.9
[M]+	192.09270	138.6
[M]-	192.09380	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe