CID 19790457

2-(cyclohexylamino)-1-propanesulfonic acid

Structural Information

Molecular Formula
C9H19NO3S
SMILES
CC(CS(=O)(=O)O)NC1CCCCC1
InChI
InChI=1S/C9H19NO3S/c1-8(7-14(11,12)13)10-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3,(H,11,12,13)
InChIKey
ATURTZGYZKPCBN-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

221.10857 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.115846 148.4
[M+Na]+ 244.097788 151.8
[M-H]- 220.101294 149.4
[M+NH4]+ 239.142393 165.7
[M+K]+ 260.071728 149.7
[M+H-H2O]+ 204.105830 142.8
[M+HCOO]- 266.106771 161.2
[M+CH3COO]- 280.122421 184.2
[M+Na-2H]- 242.083236 150.3
[M]+ 221.10802142 145.4
[M]- 221.10911858 145.4
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