CID 2773200

2-(thiomorpholin-4-yl)ethan-1-amine

Structural Information

Molecular Formula

C₆H₁₄N₂S

SMILES

C1CSCCN1CCN

InChI

InChI=1S/C6H14N2S/c7-1-2-8-3-5-9-6-4-8/h1-7H2

InChIKey

ZMBVBAVBXVSHER-UHFFFAOYSA-N

Compound name

2-thiomorpholin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 339
Patents: 146.08777 Da
Monoisotopic Mass: -0.3
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]+	147.09505	129.8
[M+Na]+	169.07699	134.8
[M-H]-	145.08049	130.7
[M+NH4]+	164.12159	149.6
[M+K]+	185.05093	132.9
[M+H-H2O]+	129.08503	123.4
[M+HCOO]-	191.08597	144.8
[M+CH3COO]-	205.10162	174.0
[M+Na-2H]-	167.06244	132.6
[M]+	146.08722	125.3
[M]-	146.08832	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe