CID 3815310

851176-37-9

Structural Information

Molecular Formula

C₁₀H₁₆N₂OS

SMILES

C1COCCN1C(CN)C2=CC=CS2

InChI

InChI=1S/C10H16N2OS/c11-8-9(10-2-1-7-14-10)12-3-5-13-6-4-12/h1-2,7,9H,3-6,8,11H2

InChIKey

JYYRNJZYOMUQSA-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-2-thiophen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 212.09833 Da
Monoisotopic Mass: 0.2
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]+	213.10561	146.5
[M+Na]+	235.08755	151.2
[M-H]-	211.09105	151.3
[M+NH4]+	230.13215	163.9
[M+K]+	251.06149	149.8
[M+H-H2O]+	195.09559	139.4
[M+HCOO]-	257.09653	161.2
[M+CH3COO]-	271.11218	157.9
[M+Na-2H]-	233.07300	147.2
[M]+	212.09778	143.3
[M]-	212.09888	143.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.