CID 16227277

1049741-22-1

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂S₂

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CN

InChI

InChI=1S/C10H16N2O2S2/c11-8-9-4-5-10(15-9)16(13,14)12-6-2-1-3-7-12/h4-5H,1-3,6-8,11H2

InChIKey

WLLPHCYNAIIAFO-UHFFFAOYSA-N

Compound name

(5-piperidin-1-ylsulfonylthiophen-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.0653 Da
Monoisotopic Mass: 0.8
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]+	261.072576	156.9
[M+Na]+	283.054518	163.7
[M-H]-	259.058024	161.1
[M+NH4]+	278.099123	174.1
[M+K]+	299.028458	159.1
[M+H-H2O]+	243.062560	150.7
[M+HCOO]-	305.063501	166.9
[M+CH3COO]-	319.079151	190.3
[M+Na-2H]-	281.039966	156.5
[M]+	260.06475142	154.8
[M]-	260.06584858	154.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.