CID 832241

505068-18-8

Structural Information

Molecular Formula

C₇H₁₆N₂O₂S

SMILES

CCCS(=O)(=O)N1CCNCC1

InChI

InChI=1S/C7H16N2O2S/c1-2-7-12(10,11)9-5-3-8-4-6-9/h8H,2-7H2,1H3

InChIKey

LDGHUIONHQHEGM-UHFFFAOYSA-N

Compound name

1-propylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 192.09325 Da
Monoisotopic Mass: -0.2
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]+	193.10053	142.3
[M+Na]+	215.08247	148.0
[M-H]-	191.08597	140.9
[M+NH4]+	210.12707	158.7
[M+K]+	231.05641	145.3
[M+H-H2O]+	175.09051	135.9
[M+HCOO]-	237.09145	153.1
[M+CH3COO]-	251.10710	175.7
[M+Na-2H]-	213.06792	145.3
[M]+	192.09270	139.4
[M]-	192.09380	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe