CID 75422241

1-(2-sulfamoylethyl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H16N2O4S
SMILES
C1CN(CCC1C(=O)O)CCS(=O)(=O)N
InChI
InChI=1S/C8H16N2O4S/c9-15(13,14)6-5-10-3-1-7(2-4-10)8(11)12/h7H,1-6H2,(H,11,12)(H2,9,13,14)
InChIKey
VABLJMRIYGBCCL-UHFFFAOYSA-N
Compound name
1-(2-sulfamoylethyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.08308 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09036 150.2
[M+Na]+ 259.07230 154.9
[M-H]- 235.07580 149.7
[M+NH4]+ 254.11690 165.3
[M+K]+ 275.04624 152.5
[M+H-H2O]+ 219.08034 144.0
[M+HCOO]- 281.08128 161.7
[M+CH3COO]- 295.09693 185.9
[M+Na-2H]- 257.05775 151.1
[M]+ 236.08253 147.3
[M]- 236.08363 147.3
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.