CID 14615345

2-methanesulfonyl-n-methylcyclohexan-1-amine

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CNC1CCCCC1S(=O)(=O)C

InChI

InChI=1S/C8H17NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h7-9H,3-6H2,1-2H3

InChIKey

QSOXLKJJIZJVNM-UHFFFAOYSA-N

Compound name

N-methyl-2-methylsulfonylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.098 Da
Monoisotopic Mass: 1.1
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]+	192.105276	140.2
[M+Na]+	214.087218	145.8
[M-H]-	190.090724	143.3
[M+NH4]+	209.131823	160.0
[M+K]+	230.061158	143.9
[M+H-H2O]+	174.095260	134.9
[M+HCOO]-	236.096201	155.6
[M+CH3COO]-	250.111851	181.9
[M+Na-2H]-	212.072666	143.2
[M]+	191.09745142	138.3
[M]-	191.09854858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.