CID 138038018

3-methanesulfonylazocane hydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CS(=O)(=O)C1CCCCCNC1

InChI

InChI=1S/C8H17NO2S/c1-12(10,11)8-5-3-2-4-6-9-7-8/h8-9H,2-7H2,1H3

InChIKey

FZXFDFBMDVNALP-UHFFFAOYSA-N

Compound name

3-methylsulfonylazocane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.098 Da
Monoisotopic Mass: 0.4
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]+	192.10528	138.9
[M+Na]+	214.08722	141.8
[M+NH4]+	209.13182	141.5
[M+K]+	230.06116	141.5
[M-H]-	190.09072	139.0
[M+Na-2H]-	212.07267	141.8
[M]+	191.09745	139.3
[M]-	191.09855	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.