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
5
Annotation Hits

10
References

2702
Patents

253.11365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.120926 155.6
[M+Na]+ 276.102868 160.7
[M-H]- 252.106374 161.5
[M+NH4]+ 271.147473 172.5
[M+K]+ 292.076808 156.9
[M+H-H2O]+ 236.110910 148.8
[M+HCOO]- 298.111851 171.2
[M+CH3COO]- 312.127501 192.7
[M+Na-2H]- 274.088316 159.0
[M]+ 253.11310142 153.0
[M]- 253.11419858 153.0
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