CID 16228163

1-(pyrrolidin-1-ylsulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇N₃O₂S

SMILES

C1CCN(C1)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C8H17N3O2S/c12-14(13,10-5-1-2-6-10)11-7-3-9-4-8-11/h9H,1-8H2

InChIKey

FAIWKSJXVXAVTR-UHFFFAOYSA-N

Compound name

1-pyrrolidin-1-ylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 219.10414 Da
Monoisotopic Mass: -0.7
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]+	220.111416	150.1
[M+Na]+	242.093358	155.0
[M-H]-	218.096864	150.3
[M+NH4]+	237.137963	165.5
[M+K]+	258.067298	152.4
[M+H-H2O]+	202.101400	142.6
[M+HCOO]-	264.102341	158.9
[M+CH3COO]-	278.117991	178.1
[M+Na-2H]-	240.078806	150.6
[M]+	219.10359142	143.9
[M]-	219.10468858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe