CID 4985163

731802-61-2

Structural Information

Molecular Formula
C14H17NO6S
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C14H17NO6S/c1-21-14(18)11-4-2-3-5-12(11)22(19,20)15-8-6-10(7-9-15)13(16)17/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKey
CFWJREFIAWGSEU-UHFFFAOYSA-N
Compound name
1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

327.07767 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08495 170.0
[M+Na]+ 350.06689 178.5
[M+NH4]+ 345.11149 174.4
[M+K]+ 366.04083 174.3
[M-H]- 326.07039 169.2
[M+Na-2H]- 348.05234 173.3
[M]+ 327.07712 171.0
[M]- 327.07822 171.0
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.