CID 6458546

878416-77-4

Structural Information

Molecular Formula

C₁₀H₂₁N₃O₂S

SMILES

CC1CCN(CC1)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C10H21N3O2S/c1-10-2-6-12(7-3-10)16(14,15)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3

InChIKey

BTUPAESYEQROLR-UHFFFAOYSA-N

Compound name

1-(4-methylpiperidin-1-yl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 247.13545 Da
Monoisotopic Mass: 0.0
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]+	248.14273	156.3
[M+Na]+	270.12467	164.8
[M+NH4]+	265.16927	162.7
[M+K]+	286.09861	158.5
[M-H]-	246.12817	156.3
[M+Na-2H]-	268.11012	159.4
[M]+	247.13490	157.5
[M]-	247.13600	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe