CID 1133629

31644-53-8

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

C1CCN(C1)S(=O)(=O)CCN

InChI

InChI=1S/C6H14N2O2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-7H2

InChIKey

JRFULQLOOJLLNB-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 18
Patents: 178.0776 Da
Monoisotopic Mass: -0.9
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]+	179.084876	138.1
[M+Na]+	201.066818	144.8
[M-H]-	177.070324	139.6
[M+NH4]+	196.111423	158.4
[M+K]+	217.040758	143.1
[M+H-H2O]+	161.074860	132.2
[M+HCOO]-	223.075801	154.5
[M+CH3COO]-	237.091451	176.4
[M+Na-2H]-	199.052266	140.2
[M]+	178.07705142	136.7
[M]-	178.07814858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe