CID 25312923

933038-72-3

Structural Information

Molecular Formula

C₉H₂₀N₄O₂S

SMILES

CN1CCN(CC1)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C9H20N4O2S/c1-11-6-8-13(9-7-11)16(14,15)12-4-2-10-3-5-12/h10H,2-9H2,1H3

InChIKey

MJSQWKPWDNVIHJ-UHFFFAOYSA-N

Compound name

1-methyl-4-piperazin-1-ylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.13069 Da
Monoisotopic Mass: -1.4
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]+	249.13797	158.7
[M+Na]+	271.11991	163.0
[M-H]-	247.12341	157.1
[M+NH4]+	266.16451	169.7
[M+K]+	287.09385	159.4
[M+H-H2O]+	231.12795	150.1
[M+HCOO]-	293.12889	163.5
[M+CH3COO]-	307.14454	185.8
[M+Na-2H]-	269.10536	159.7
[M]+	248.13014	151.3
[M]-	248.13124	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe