CID 280747

1-(2-phenylacetyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

C1CN(CCC1C(=O)O)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c16-13(10-11-4-2-1-3-5-11)15-8-6-12(7-9-15)14(17)18/h1-5,12H,6-10H2,(H,17,18)

InChIKey

OTVPLNPLEZXHGE-UHFFFAOYSA-N

Compound name

1-(2-phenylacetyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 9
Patents: 247.12085 Da
Monoisotopic Mass: 1.3
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]+	248.12813	156.6
[M+Na]+	270.11007	160.5
[M-H]-	246.11357	159.5
[M+NH4]+	265.15467	171.0
[M+K]+	286.08401	157.7
[M+H-H2O]+	230.11811	148.6
[M+HCOO]-	292.11905	172.8
[M+CH3COO]-	306.13470	189.9
[M+Na-2H]-	268.09552	158.2
[M]+	247.12030	151.9
[M]-	247.12140	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe