CID 16787050

953751-24-1

Structural Information

Molecular Formula

C₁₀H₁₆N₂S

SMILES

C1CCN(C1)C(CN)C2=CSC=C2

InChI

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

InChIKey

ARMCXCSVTGOSHX-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-yl-2-thiophen-3-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 196.10342 Da
Monoisotopic Mass: 1.0
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]+	197.11070	144.9
[M+Na]+	219.09264	150.8
[M-H]-	195.09614	149.8
[M+NH4]+	214.13724	166.3
[M+K]+	235.06658	148.5
[M+H-H2O]+	179.10068	138.1
[M+HCOO]-	241.10162	162.4
[M+CH3COO]-	255.11727	157.1
[M+Na-2H]-	217.07809	143.2
[M]+	196.10287	142.3
[M]-	196.10397	142.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.