CID 70815

Caps

Structural Information

Molecular Formula
C9H19NO3S
SMILES
C1CCC(CC1)NCCCS(=O)(=O)O
InChI
InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)
InChIKey
PJWWRFATQTVXHA-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

59
References

15925
Patents

221.10857 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11585 148.3
[M+Na]+ 244.09779 151.9
[M-H]- 220.10129 149.2
[M+NH4]+ 239.14239 165.6
[M+K]+ 260.07173 149.3
[M+H-H2O]+ 204.10583 142.5
[M+HCOO]- 266.10677 162.1
[M+CH3COO]- 280.12242 183.4
[M+Na-2H]- 242.08324 151.2
[M]+ 221.10802 145.8
[M]- 221.10912 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.