CID 17221638

82378-85-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂S

SMILES

C1CN(CCC1N)CC2=CC=CS2

InChI

InChI=1S/C10H16N2S/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10/h1-2,7,9H,3-6,8,11H2

InChIKey

NQQVCDIEQDMPOD-UHFFFAOYSA-N

Compound name

1-(thiophen-2-ylmethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 196.10342 Da
Monoisotopic Mass: 1.1
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]+	197.11070	142.6
[M+Na]+	219.09264	152.6
[M+NH4]+	214.13724	152.3
[M+K]+	235.06658	145.8
[M-H]-	195.09614	146.8
[M+Na-2H]-	217.07809	148.5
[M]+	196.10287	145.5
[M]-	196.10397	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe