CID 2757374

672309-93-2

Structural Information

Molecular Formula

C₁₃H₁₃NO₄

SMILES

C1CN(CCC1=O)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO4/c15-11-5-7-14(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18/h1-4H,5-8H2,(H,17,18)

InChIKey

XXONJRIUBHNYLZ-UHFFFAOYSA-N

Compound name

4-(4-oxopiperidine-1-carbonyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 247.08446 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.09174	154.4
[M+Na]+	270.07368	165.3
[M+NH4]+	265.11828	160.5
[M+K]+	286.04762	160.9
[M-H]-	246.07718	155.5
[M+Na-2H]-	268.05913	159.4
[M]+	247.08391	155.9
[M]-	247.08501	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe