CID 45792639

Pyrrolidine-3-sulfonamide

Structural Information

Molecular Formula

C₄H₁₀N₂O₂S

SMILES

C1CNCC1S(=O)(=O)N

InChI

InChI=1S/C4H10N2O2S/c5-9(7,8)4-1-2-6-3-4/h4,6H,1-3H2,(H2,5,7,8)

InChIKey

CWWBQWLCPSGMER-UHFFFAOYSA-N

Compound name

pyrrolidine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 150.0463 Da
Monoisotopic Mass: -1.3
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]+	151.053576	129.7
[M+Na]+	173.035518	136.9
[M-H]-	149.039024	130.1
[M+NH4]+	168.080123	150.4
[M+K]+	189.009458	134.7
[M+H-H2O]+	133.043560	124.5
[M+HCOO]-	195.044501	145.2
[M+CH3COO]-	209.060151	167.8
[M+Na-2H]-	171.020966	132.3
[M]+	150.04575142	125.7
[M]-	150.04684858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe