CID 3733262

142919-86-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂S

SMILES

C1CCN(C1)C(CN)C2=CC=CS2

InChI

InChI=1S/C10H16N2S/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h3-4,7,9H,1-2,5-6,8,11H2

InChIKey

HZLMJMYZCMEADV-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	144.0
[M+Na]+	219.09264	152.2
[M+NH4]+	214.13724	153.3
[M+K]+	235.06658	148.0
[M-H]-	195.09614	147.2
[M+Na-2H]-	217.07809	148.9
[M]+	196.10287	146.3
[M]-	196.10397	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.