CID 125605

(pyrrolidin-3-yl)methanesulfonamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

C1CNCC1CS(=O)(=O)N

InChI

InChI=1S/C5H12N2O2S/c6-10(8,9)4-5-1-2-7-3-5/h5,7H,1-4H2,(H2,6,8,9)

InChIKey

JFINOWIINSTUNY-UHFFFAOYSA-N

Compound name

pyrrolidin-3-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 4558
Patents: 164.06195 Da
Monoisotopic Mass: -1.1
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	134.0
[M+Na]+	187.051168	140.8
[M-H]-	163.054674	134.2
[M+NH4]+	182.095773	154.2
[M+K]+	203.025108	138.3
[M+H-H2O]+	147.059210	128.6
[M+HCOO]-	209.060151	149.2
[M+CH3COO]-	223.075801	170.8
[M+Na-2H]-	185.036616	136.2
[M]+	164.06140142	130.4
[M]-	164.06249858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe