CID 11355826

402927-97-3

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

CS(=O)(=O)N1CCC(CC1)N

InChI

InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3

InChIKey

FLQSRSQNICPZIH-UHFFFAOYSA-N

Compound name

1-methylsulfonylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1243
Patents: 178.0776 Da
Monoisotopic Mass: -0.9
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]+	179.08488	136.5
[M+Na]+	201.06682	143.1
[M-H]-	177.07032	138.0
[M+NH4]+	196.11142	155.2
[M+K]+	217.04076	141.1
[M+H-H2O]+	161.07486	130.7
[M+HCOO]-	223.07580	150.7
[M+CH3COO]-	237.09145	177.9
[M+Na-2H]-	199.05227	139.4
[M]+	178.07705	133.3
[M]-	178.07815	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe