CID 2473191

1-(4-acetylbenzenesulfonyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C14H17NO5S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C14H17NO5S/c1-10(16)11-2-4-13(5-3-11)21(19,20)15-8-6-12(7-9-15)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18)
InChIKey
YMQWMSXAECMZQU-UHFFFAOYSA-N
Compound name
1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08273 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09001 167.2
[M+Na]+ 334.07195 176.2
[M+NH4]+ 329.11655 172.2
[M+K]+ 350.04589 171.4
[M-H]- 310.07545 166.9
[M+Na-2H]- 332.05740 170.9
[M]+ 311.08218 168.5
[M]- 311.08328 168.5
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.