CID 65849859

N-[2-(aminomethyl)cyclohexyl]methanesulfonamide hydrochloride

Structural Information

Molecular Formula

C₈H₁₈N₂O₂S

SMILES

CS(=O)(=O)NC1CCCCC1CN

InChI

InChI=1S/C8H18N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h7-8,10H,2-6,9H2,1H3

InChIKey

USTNSGDWEZDJDN-UHFFFAOYSA-N

Compound name

N-[2-(aminomethyl)cyclohexyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.1089 Da
Monoisotopic Mass: 0.7
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]+	207.116176	143.8
[M+Na]+	229.098118	148.5
[M-H]-	205.101624	146.1
[M+NH4]+	224.142723	162.2
[M+K]+	245.072058	145.9
[M+H-H2O]+	189.106160	137.9
[M+HCOO]-	251.107101	159.4
[M+CH3COO]-	265.122751	186.4
[M+Na-2H]-	227.083566	146.3
[M]+	206.10835142	140.0
[M]-	206.10944858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.