CID 3853975

1008979-95-0

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
C1CCN(C(C1)C(=O)O)C2=NS(=O)(=O)C3=CC=CC=C32
InChI
InChI=1S/C13H14N2O4S/c16-13(17)10-6-3-4-8-15(10)12-9-5-1-2-7-11(9)20(18,19)14-12/h1-2,5,7,10H,3-4,6,8H2,(H,16,17)
InChIKey
PRAVGNKJPPWTPR-UHFFFAOYSA-N
Compound name
1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0674 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07468 163.7
[M+Na]+ 317.05662 174.5
[M+NH4]+ 312.10122 171.8
[M+K]+ 333.03056 167.7
[M-H]- 293.06012 164.6
[M+Na-2H]- 315.04207 169.0
[M]+ 294.06685 165.8
[M]- 294.06795 165.8
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.