CID 19877943

1-cyclohexyl-n-methylmethanesulfonamide

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CNS(=O)(=O)CC1CCCCC1

InChI

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

InChIKey

PFWYRMPHHJKJBB-UHFFFAOYSA-N

Compound name

1-cyclohexyl-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 191.098 Da
Monoisotopic Mass: 1.7
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	140.7
[M+Na]+	214.08722	145.4
[M-H]-	190.09072	143.4
[M+NH4]+	209.13182	160.2
[M+K]+	230.06116	143.5
[M+H-H2O]+	174.09526	135.1
[M+HCOO]-	236.09620	156.2
[M+CH3COO]-	250.11185	180.8
[M+Na-2H]-	212.07267	144.3
[M]+	191.09745	138.4
[M]-	191.09855	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe