CID 28348086

4-bromo-1-methanesulfonylpiperidine

Structural Information

Molecular Formula

C₆H₁₂BrNO₂S

SMILES

CS(=O)(=O)N1CCC(CC1)Br

InChI

InChI=1S/C6H12BrNO2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5H2,1H3

InChIKey

HPDJCNCSOTUFOE-UHFFFAOYSA-N

Compound name

4-bromo-1-methylsulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 240.9772 Da
Monoisotopic Mass: 0.8
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]+	241.98448	134.9
[M+Na]+	263.96642	146.0
[M-H]-	239.96992	139.9
[M+NH4]+	259.01102	155.6
[M+K]+	279.94036	135.4
[M+H-H2O]+	223.97446	135.7
[M+HCOO]-	285.97540	147.2
[M+CH3COO]-	299.99105	184.2
[M+Na-2H]-	261.95187	140.5
[M]+	240.97665	152.4
[M]-	240.97775	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe