CID 11207078

4-(cyclohexylamino)butane-1-sulfonic acid

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

4760
Patents

235.12422 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13150 152.6
[M+Na]+ 258.11344 155.8
[M-H]- 234.11694 153.3
[M+NH4]+ 253.15804 169.3
[M+K]+ 274.08738 152.9
[M+H-H2O]+ 218.12148 146.6
[M+HCOO]- 280.12242 166.1
[M+CH3COO]- 294.13807 186.4
[M+Na-2H]- 256.09889 155.0
[M]+ 235.12367 150.5
[M]- 235.12477 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe