CID 16767330

98113-06-5

Structural Information

Molecular Formula

C₆H₁₄N₂O₃S

SMILES

C1COCCN1S(=O)(=O)CCN

InChI

InChI=1S/C6H14N2O3S/c7-1-6-12(9,10)8-2-4-11-5-3-8/h1-7H2

InChIKey

OINANNBISYKCNE-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 194.07251 Da
Monoisotopic Mass: -1.8
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]+	195.079786	139.5
[M+Na]+	217.061728	145.1
[M-H]-	193.065234	141.2
[M+NH4]+	212.106333	155.9
[M+K]+	233.035668	144.5
[M+H-H2O]+	177.069770	133.1
[M+HCOO]-	239.070711	153.2
[M+CH3COO]-	253.086361	178.9
[M+Na-2H]-	215.047176	144.1
[M]+	194.07196142	137.8
[M]-	194.07305858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe