CID 43164314

64732-36-1

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CC(C)C1=CC=C(C=C1)CS(=O)(=O)N

InChI

InChI=1S/C10H15NO2S/c1-8(2)10-5-3-9(4-6-10)7-14(11,12)13/h3-6,8H,7H2,1-2H3,(H2,11,12,13)

InChIKey

QUHGEDDAENKRCA-UHFFFAOYSA-N

Compound name

(4-propan-2-ylphenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 213.08235 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]+	214.08963	145.4
[M+Na]+	236.07157	153.0
[M-H]-	212.07507	148.8
[M+NH4]+	231.11617	164.2
[M+K]+	252.04551	149.9
[M+H-H2O]+	196.07961	139.6
[M+HCOO]-	258.08055	162.8
[M+CH3COO]-	272.09620	187.0
[M+Na-2H]-	234.05702	148.0
[M]+	213.08180	146.7
[M]-	213.08290	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe