CID 52326752

1821827-86-4

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

C1C[C@H](NC1)CS(=O)(=O)N

InChI

InChI=1S/C5H12N2O2S/c6-10(8,9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H2,6,8,9)/t5-/m0/s1

InChIKey

RSPRMRVYZCSKLD-YFKPBYRVSA-N

Compound name

[(2S)-pyrrolidin-2-yl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 164.06195 Da
Monoisotopic Mass: -0.9
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

No literature data available for this compound.

Patent stripe

patents stripe