CID 138987293

1-cyclopropyl-n-methyl-1-phenylmethanesulfonamide

Structural Information

Molecular Formula

C₁₁H₁₅NO₂S

SMILES

CNS(=O)(=O)C(C1CC1)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO2S/c1-12-15(13,14)11(10-7-8-10)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3

InChIKey

FCZLYNQWNDZYLC-UHFFFAOYSA-N

Compound name

1-cyclopropyl-N-methyl-1-phenylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.08235 Da
Monoisotopic Mass: 1.6
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]+	226.089626	143.3
[M+Na]+	248.071568	151.2
[M-H]-	224.075074	150.7
[M+NH4]+	243.116173	156.7
[M+K]+	264.045508	147.7
[M+H-H2O]+	208.079610	136.7
[M+HCOO]-	270.080551	161.9
[M+CH3COO]-	284.096201	191.1
[M+Na-2H]-	246.057016	148.1
[M]+	225.08180142	146.8
[M]-	225.08289858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.