CID 16774109

651056-80-3

Structural Information

Molecular Formula

C₈H₁₈N₂O₂S

SMILES

CCCS(=O)(=O)N1CCC(CC1)N

InChI

InChI=1S/C8H18N2O2S/c1-2-7-13(11,12)10-5-3-8(9)4-6-10/h8H,2-7,9H2,1H3

InChIKey

BTFUADDIXCATTF-UHFFFAOYSA-N

Compound name

1-propylsulfonylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 206.1089 Da
Monoisotopic Mass: 0.0
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]+	207.11618	145.2
[M+Na]+	229.09812	150.8
[M-H]-	205.10162	146.2
[M+NH4]+	224.14272	162.7
[M+K]+	245.07206	148.4
[M+H-H2O]+	189.10616	139.0
[M+HCOO]-	251.10710	158.7
[M+CH3COO]-	265.12275	184.0
[M+Na-2H]-	227.08357	147.1
[M]+	206.10835	142.7
[M]-	206.10945	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe