CID 65419394

N-ethylpyrrolidine-3-sulfonamide

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

CCNS(=O)(=O)C1CCNC1

InChI

InChI=1S/C6H14N2O2S/c1-2-8-11(9,10)6-3-4-7-5-6/h6-8H,2-5H2,1H3

InChIKey

QGFAOVYTLNLVDJ-UHFFFAOYSA-N

Compound name

N-ethylpyrrolidine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.0776 Da
Monoisotopic Mass: -0.5
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	138.2
[M+Na]+	201.066818	144.5
[M-H]-	177.070324	138.8
[M+NH4]+	196.111423	158.0
[M+K]+	217.040758	142.2
[M+H-H2O]+	161.074860	132.6
[M+HCOO]-	223.075801	153.7
[M+CH3COO]-	237.091451	174.5
[M+Na-2H]-	199.052266	140.9
[M]+	178.07705142	135.9
[M]-	178.07814858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe