CID 84719803

(4-methanesulfonylcyclohexyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CS(=O)(=O)C1CCC(CC1)CN

InChI

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

InChIKey

WZPFRVCDAPDDTB-UHFFFAOYSA-N

Compound name

(4-methylsulfonylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 191.098 Da
Monoisotopic Mass: 0.2
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	141.4
[M+Na]+	214.08722	149.7
[M+NH4]+	209.13182	149.3
[M+K]+	230.06116	143.3
[M-H]-	190.09072	142.3
[M+Na-2H]-	212.07267	144.6
[M]+	191.09745	143.0
[M]-	191.09855	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe