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: 5
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	158.0
[M+Na]+	270.12467	161.7
[M-H]-	246.12817	157.6
[M+NH4]+	265.16927	170.4
[M+K]+	286.09861	158.2
[M+H-H2O]+	230.13271	149.9
[M+HCOO]-	292.13365	163.8
[M+CH3COO]-	306.14930	185.8
[M+Na-2H]-	268.11012	158.6
[M]+	247.13490	150.5
[M]-	247.13600	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe