CID 2405280

731003-86-4

Structural Information

Molecular Formula
C15H19NO6S
SMILES
CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C15H19NO6S/c1-2-22-15(19)12-3-5-13(6-4-12)23(20,21)16-9-7-11(8-10-16)14(17)18/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKey
SHBCZXKAFMOYMY-UHFFFAOYSA-N
Compound name
1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

341.09332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10060 174.5
[M+Na]+ 364.08254 178.9
[M-H]- 340.08604 177.7
[M+NH4]+ 359.12714 185.6
[M+K]+ 380.05648 176.3
[M+H-H2O]+ 324.09058 167.1
[M+HCOO]- 386.09152 184.7
[M+CH3COO]- 400.10717 203.3
[M+Na-2H]- 362.06799 174.4
[M]+ 341.09277 175.5
[M]- 341.09387 175.5
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.