CID 62062682

(1-methanesulfonylpyrrolidin-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

CS(=O)(=O)N1CCC(C1)CN

InChI

InChI=1S/C6H14N2O2S/c1-11(9,10)8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3

InChIKey

LQERHHJDFKVWEH-UHFFFAOYSA-N

Compound name

(1-methylsulfonylpyrrolidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 178.0776 Da
Monoisotopic Mass: -1.0
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]+	179.08488	138.7
[M+Na]+	201.06682	146.0
[M+NH4]+	196.11142	145.7
[M+K]+	217.04076	142.3
[M-H]-	177.07032	138.1
[M+Na-2H]-	199.05227	140.7
[M]+	178.07705	139.6
[M]-	178.07815	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe