CID 18348422

N-(4-aminocyclohexyl)methanesulfonamide hydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂O₂S

SMILES

CS(=O)(=O)NC1CCC(CC1)N

InChI

InChI=1S/C7H16N2O2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h6-7,9H,2-5,8H2,1H3

InChIKey

ILBSHRGPVFXDTH-UHFFFAOYSA-N

Compound name

N-(4-aminocyclohexyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 251
Patents: 192.09325 Da
Monoisotopic Mass: -0.3
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]+	193.100526	139.5
[M+Na]+	215.082468	144.6
[M-H]-	191.085974	141.9
[M+NH4]+	210.127073	158.4
[M+K]+	231.056408	142.3
[M+H-H2O]+	175.090510	133.8
[M+HCOO]-	237.091451	155.5
[M+CH3COO]-	251.107101	183.3
[M+Na-2H]-	213.067916	142.5
[M]+	192.09270142	135.3
[M]-	192.09379858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe