CID 429325

Piperidine-3-sulfonic acid

Structural Information

Molecular Formula
C5H11NO3S
SMILES
C1CC(CNC1)S(=O)(=O)O
InChI
InChI=1S/C5H11NO3S/c7-10(8,9)5-2-1-3-6-4-5/h5-6H,1-4H2,(H,7,8,9)
InChIKey
JHRHBIGQXOSCLY-UHFFFAOYSA-N
Compound name
piperidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

60
Patents

165.04596 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.053236 132.7
[M+Na]+ 188.035178 138.6
[M-H]- 164.038684 131.7
[M+NH4]+ 183.079783 150.7
[M+K]+ 204.009118 136.1
[M+H-H2O]+ 148.043220 127.6
[M+HCOO]- 210.044161 144.1
[M+CH3COO]- 224.059811 166.4
[M+Na-2H]- 186.020626 136.4
[M]+ 165.04541142 128.2
[M]- 165.04650858 128.2
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