CID 21686562

Cyclohexylmethanesulfonamide

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

C1CCC(CC1)CS(=O)(=O)N

InChI

InChI=1S/C7H15NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,8,9,10)

InChIKey

VJPGNAIPMMGCSU-UHFFFAOYSA-N

Compound name

cyclohexylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 177.08235 Da
Monoisotopic Mass: 1.3
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]+	178.089626	136.8
[M+Na]+	200.071568	141.9
[M-H]-	176.075074	139.1
[M+NH4]+	195.116173	156.5
[M+K]+	216.045508	139.8
[M+H-H2O]+	160.079610	131.4
[M+HCOO]-	222.080551	151.9
[M+CH3COO]-	236.096201	177.1
[M+Na-2H]-	198.057016	139.8
[M]+	177.08180142	133.0
[M]-	177.08289858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe