CID 6633

80-30-8

Structural Information

Molecular Formula

C₁₃H₁₉NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2

InChI

InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3

InChIKey

DKYVVNLWACXMDW-UHFFFAOYSA-N

Compound name

N-cyclohexyl-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 2687
Patents: 253.11365 Da
Monoisotopic Mass: 3.1
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]+	254.12093	155.6
[M+Na]+	276.10287	160.7
[M-H]-	252.10637	161.5
[M+NH4]+	271.14747	172.5
[M+K]+	292.07681	156.9
[M+H-H2O]+	236.11091	148.8
[M+HCOO]-	298.11185	171.2
[M+CH3COO]-	312.12750	192.7
[M+Na-2H]-	274.08832	159.0
[M]+	253.11310	153.0
[M]-	253.11420	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe