CID 15914515

1-(ethenesulfonyl)pyrrolidine

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

C=CS(=O)(=O)N1CCCC1

InChI

InChI=1S/C6H11NO2S/c1-2-10(8,9)7-5-3-4-6-7/h2H,1,3-6H2

InChIKey

MZRYWKDCEDIJKR-UHFFFAOYSA-N

Compound name

1-ethenylsulfonylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 161.05106 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]+	162.05834	135.6
[M+Na]+	184.04028	144.3
[M+NH4]+	179.08488	143.1
[M+K]+	200.01422	139.5
[M-H]-	160.04378	134.7
[M+Na-2H]-	182.02573	138.3
[M]+	161.05051	136.7
[M]-	161.05161	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe