CID 70808

1133-12-6

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C10H15NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3

InChIKey

FGTLUYQJKVPUHM-UHFFFAOYSA-N

Compound name

4-methyl-N-propylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 110
Patents: 213.08235 Da
Monoisotopic Mass: 2.1
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	144.9
[M+Na]+	236.07157	152.9
[M-H]-	212.07507	148.9
[M+NH4]+	231.11617	164.1
[M+K]+	252.04551	149.7
[M+H-H2O]+	196.07961	139.0
[M+HCOO]-	258.08055	164.1
[M+CH3COO]-	272.09620	186.9
[M+Na-2H]-	234.05702	149.7
[M]+	213.08180	147.9
[M]-	213.08290	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe