CID 16773365

891392-82-8

Structural Information

Molecular Formula
C13H17NO4S
SMILES
C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H17NO4S/c15-13(16)12-7-4-8-14(9-12)19(17,18)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKey
MOYULDUQFKHJBM-UHFFFAOYSA-N
Compound name
1-benzylsulfonylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

283.08783 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 161.6
[M+Na]+ 306.07705 171.4
[M+NH4]+ 301.12165 167.8
[M+K]+ 322.05099 165.2
[M-H]- 282.08055 162.4
[M+Na-2H]- 304.06250 166.5
[M]+ 283.08728 163.4
[M]- 283.08838 163.4
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

No patent data available for this compound.