CID 8469380

4-cyano-n-(2-methylpropyl)benzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂S

SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H14N2O2S/c1-9(2)8-13-16(14,15)11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3

InChIKey

JEKHWMYOOYINTH-UHFFFAOYSA-N

Compound name

4-cyano-N-(2-methylpropyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.0776 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]+	239.084876	160.8
[M+Na]+	261.066818	169.9
[M-H]-	237.070324	164.6
[M+NH4]+	256.111423	176.9
[M+K]+	277.040758	167.0
[M+H-H2O]+	221.074860	148.2
[M+HCOO]-	283.075801	175.1
[M+CH3COO]-	297.091451	203.1
[M+Na-2H]-	259.052266	163.1
[M]+	238.07705142	158.0
[M]-	238.07814858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe