CID 64503392

6-methanesulfonylhexan-1-amine

Structural Information

Molecular Formula

C₇H₁₇NO₂S

SMILES

CS(=O)(=O)CCCCCCN

InChI

InChI=1S/C7H17NO2S/c1-11(9,10)7-5-3-2-4-6-8/h2-8H2,1H3

InChIKey

WDBSKTJCJDIIPG-UHFFFAOYSA-N

Compound name

6-methylsulfonylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.098 Da
Monoisotopic Mass: 0.1
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]+	180.10528	139.2
[M+Na]+	202.08722	145.9
[M-H]-	178.09072	138.9
[M+NH4]+	197.13182	159.3
[M+K]+	218.06116	143.7
[M+H-H2O]+	162.09526	134.1
[M+HCOO]-	224.09620	156.8
[M+CH3COO]-	238.11185	180.7
[M+Na-2H]-	200.07267	142.1
[M]+	179.09745	142.0
[M]-	179.09855	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.