CID 18363079

727396-60-3

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

C1CN(CCC1C(=O)O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H15NO3/c15-9-10-1-3-12(4-2-10)14-7-5-11(6-8-14)13(16)17/h1-4,9,11H,5-8H2,(H,16,17)

InChIKey

CXXCXICUGGOJPU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 233.1052 Da
Monoisotopic Mass: 1.5
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]+	234.112476	151.6
[M+Na]+	256.094418	157.1
[M-H]-	232.097924	155.0
[M+NH4]+	251.139023	166.9
[M+K]+	272.068358	154.0
[M+H-H2O]+	216.102460	143.9
[M+HCOO]-	278.103401	169.2
[M+CH3COO]-	292.119051	187.8
[M+Na-2H]-	254.079866	154.2
[M]+	233.10465142	147.7
[M]-	233.10574858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe