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: 328
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]+	147.095046	129.8
[M+Na]+	169.076988	134.8
[M-H]-	145.080494	130.7
[M+NH4]+	164.121593	149.6
[M+K]+	185.050928	132.9
[M+H-H2O]+	129.085030	123.4
[M+HCOO]-	191.085971	144.8
[M+CH3COO]-	205.101621	174.0
[M+Na-2H]-	167.062436	132.6
[M]+	146.08722142	125.3
[M]-	146.08831858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe