CID 28784573

90810-17-6

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

CNS(=O)(=O)N1CCCC1

InChI

InChI=1S/C5H12N2O2S/c1-6-10(8,9)7-4-2-3-5-7/h6H,2-5H2,1H3

InChIKey

ZDYVCYULLHXCRP-UHFFFAOYSA-N

Compound name

N-methylpyrrolidine-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 164.06195 Da
Monoisotopic Mass: -0.3
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]+	165.069226	133.5
[M+Na]+	187.051168	140.7
[M-H]-	163.054674	135.7
[M+NH4]+	182.095773	154.6
[M+K]+	203.025108	139.6
[M+H-H2O]+	147.059210	127.8
[M+HCOO]-	209.060151	150.8
[M+CH3COO]-	223.075801	174.0
[M+Na-2H]-	185.036616	137.1
[M]+	164.06140142	132.7
[M]-	164.06249858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe