CID 130297570

2124221-12-9

Structural Information

Molecular Formula

C₈H₁₇NO₃S

SMILES

CNC1CCC(CC1)CS(=O)(=O)O

InChI

InChI=1S/C8H17NO3S/c1-9-8-4-2-7(3-5-8)6-13(10,11)12/h7-9H,2-6H2,1H3,(H,10,11,12)

InChIKey

VFGKCJQWKDYLOI-UHFFFAOYSA-N

Compound name

[4-(methylamino)cyclohexyl]methanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 207.09291 Da
Monoisotopic Mass: -2.1
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]+	208.10019	144.3
[M+Na]+	230.08213	151.8
[M+NH4]+	225.12673	151.4
[M+K]+	246.05607	146.1
[M-H]-	206.08563	144.3
[M+Na-2H]-	228.06758	147.0
[M]+	207.09236	145.5
[M]-	207.09346	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe