CID 43252224

2-(4-methanesulfonylpiperazin-1-yl)ethan-1-amine

Structural Information

Molecular Formula

C₇H₁₇N₃O₂S

SMILES

CS(=O)(=O)N1CCN(CC1)CCN

InChI

InChI=1S/C7H17N3O2S/c1-13(11,12)10-6-4-9(3-2-8)5-7-10/h2-8H2,1H3

InChIKey

DYVOXHLRPHXAEY-UHFFFAOYSA-N

Compound name

2-(4-methylsulfonylpiperazin-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 207.10414 Da
Monoisotopic Mass: -1.6
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]+	208.111416	145.5
[M+Na]+	230.093358	151.6
[M-H]-	206.096864	145.2
[M+NH4]+	225.137963	161.6
[M+K]+	246.067298	149.2
[M+H-H2O]+	190.101400	138.6
[M+HCOO]-	252.102341	158.0
[M+CH3COO]-	266.117991	183.7
[M+Na-2H]-	228.078806	147.8
[M]+	207.10359142	143.1
[M]-	207.10468858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe