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]+ 271.074676 157.8
[M+Na]+ 293.056618 163.7
[M-H]- 269.060124 160.0
[M+NH4]+ 288.101223 170.5
[M+K]+ 309.030558 160.4
[M+H-H2O]+ 253.064660 150.2
[M+HCOO]- 315.065601 168.5
[M+CH3COO]- 329.081251 189.0
[M+Na-2H]- 291.042066 160.5
[M]+ 270.06685142 155.9
[M]- 270.06794858 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.