CID 16227794

1-[(2-chloropyridin-3-yl)sulfonyl]piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H13ClN2O4S
SMILES
C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C11H13ClN2O4S/c12-10-9(2-1-5-13-10)19(17,18)14-6-3-8(4-7-14)11(15)16/h1-2,5,8H,3-4,6-7H2,(H,15,16)
InChIKey
FJUSTOBRWWALKK-UHFFFAOYSA-N
Compound name
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.02844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.035716 162.0
[M+Na]+ 327.017658 169.3
[M-H]- 303.021164 164.6
[M+NH4]+ 322.062263 174.5
[M+K]+ 342.991598 164.6
[M+H-H2O]+ 287.025700 155.3
[M+HCOO]- 349.026641 168.1
[M+CH3COO]- 363.042291 194.0
[M+Na-2H]- 325.003106 163.8
[M]+ 304.02789142 162.4
[M]- 304.02898858 162.4
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.