CID 53516552

N-cycloheptyl-n-methylmethanesulfonamide

Structural Information

Molecular Formula

C₉H₁₉NO₂S

SMILES

CN(C1CCCCCC1)S(=O)(=O)C

InChI

InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3

InChIKey

UXPPTRFZLSZETL-UHFFFAOYSA-N

Compound name

N-cycloheptyl-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.11365 Da
Monoisotopic Mass: 1.9
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]+	206.120926	141.8
[M+Na]+	228.102868	143.7
[M-H]-	204.106374	146.7
[M+NH4]+	223.147473	159.7
[M+K]+	244.076808	148.0
[M+H-H2O]+	188.110910	136.3
[M+HCOO]-	250.111851	156.6
[M+CH3COO]-	264.127501	188.7
[M+Na-2H]-	226.088316	143.8
[M]+	205.11310142	137.7
[M]-	205.11419858	137.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.