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: 140
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]+	179.084876	137.8
[M+Na]+	201.066818	145.4
[M-H]-	177.070324	139.6
[M+NH4]+	196.111423	158.4
[M+K]+	217.040758	143.6
[M+H-H2O]+	161.074860	132.3
[M+HCOO]-	223.075801	154.1
[M+CH3COO]-	237.091451	177.6
[M+Na-2H]-	199.052266	139.3
[M]+	178.07705142	136.8
[M]-	178.07814858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe