CID 11207078

Cabs

Structural Information

Molecular Formula

C₁₀H₂₁NO₃S

SMILES

C1CCC(CC1)NCCCCS(=O)(=O)O

InChI

InChI=1S/C10H21NO3S/c12-15(13,14)9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13,14)

InChIKey

XNPKNHHFCKSMRV-UHFFFAOYSA-N

Compound name

4-(cyclohexylamino)butane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4717
Patents: 235.12422 Da
Monoisotopic Mass: -1.1
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]+	236.13150	152.7
[M+Na]+	258.11344	159.5
[M+NH4]+	253.15804	159.4
[M+K]+	274.08738	153.1
[M-H]-	234.11694	152.6
[M+Na-2H]-	256.09889	155.2
[M]+	235.12367	153.7
[M]-	235.12477	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe