CID 63854893

{1-[1-(ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂S

SMILES

CCS(=O)(=O)N1CCC(CC1)C(C)NC

InChI

InChI=1S/C10H22N2O2S/c1-4-15(13,14)12-7-5-10(6-8-12)9(2)11-3/h9-11H,4-8H2,1-3H3

InChIKey

FBLQQIZRPNSJAH-UHFFFAOYSA-N

Compound name

1-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.1402 Da
Monoisotopic Mass: 0.6
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]+	235.147476	153.3
[M+Na]+	257.129418	157.8
[M-H]-	233.132924	154.6
[M+NH4]+	252.174023	169.9
[M+K]+	273.103358	155.7
[M+H-H2O]+	217.137460	146.8
[M+HCOO]-	279.138401	165.8
[M+CH3COO]-	293.154051	191.5
[M+Na-2H]-	255.114866	154.3
[M]+	234.13965142	151.9
[M]-	234.14074858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.