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-chloropyridin-3-yl)sulfonylpiperidine-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]+ 305.03572 162.0
[M+Na]+ 327.01766 169.3
[M-H]- 303.02116 164.6
[M+NH4]+ 322.06226 174.5
[M+K]+ 342.99160 164.6
[M+H-H2O]+ 287.02570 155.3
[M+HCOO]- 349.02664 168.1
[M+CH3COO]- 363.04229 194.0
[M+Na-2H]- 325.00311 163.8
[M]+ 304.02789 162.4
[M]- 304.02899 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.