CID 10506628

174291-96-4

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2N

InChI

InChI=1S/C13H20N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3/t12-,13-/m1/s1

InChIKey

VVOFSHARRCJLLA-CHWSQXEVSA-N

Compound name

N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 95
Patents: 268.12454 Da
Monoisotopic Mass: 1.6
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]+	269.13182	159.4
[M+Na]+	291.11376	168.7
[M+NH4]+	286.15836	167.2
[M+K]+	307.08770	161.4
[M-H]-	267.11726	163.3
[M+Na-2H]-	289.09921	165.4
[M]+	268.12399	162.0
[M]-	268.12509	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe