CID 3243078

1-(pyridine-3-sulfonyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
C1CN(CCC1C(=O)O)S(=O)(=O)C2=CN=CC=C2
InChI
InChI=1S/C11H14N2O4S/c14-11(15)9-3-6-13(7-4-9)18(16,17)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2,(H,14,15)
InChIKey
RBKAABCGXZKFCH-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.0674 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07468 157.8
[M+Na]+ 293.05662 163.7
[M-H]- 269.06012 160.0
[M+NH4]+ 288.10122 170.5
[M+K]+ 309.03056 160.4
[M+H-H2O]+ 253.06466 150.2
[M+HCOO]- 315.06560 168.5
[M+CH3COO]- 329.08125 189.0
[M+Na-2H]- 291.04207 160.5
[M]+ 270.06685 155.9
[M]- 270.06795 155.9
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.