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

2437
Patents

253.11365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12093 156.1
[M+Na]+ 276.10287 166.7
[M+NH4]+ 271.14747 164.6
[M+K]+ 292.07681 158.5
[M-H]- 252.10637 159.9
[M+Na-2H]- 274.08832 163.0
[M]+ 253.11310 159.1
[M]- 253.11420 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe