CID 42243

3-piperidyl benzilate

Structural Information

Molecular Formula

C₁₉H₂₁NO₃

SMILES

C1CC(CNC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C19H21NO3/c21-18(23-17-12-7-13-20-14-17)19(22,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,20,22H,7,12-14H2

InChIKey

IGXOSKVDCFQEBF-UHFFFAOYSA-N

Compound name

piperidin-3-yl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 311.15213 Da
Monoisotopic Mass: 2.8
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]+	312.15941	175.0
[M+Na]+	334.14135	186.7
[M+NH4]+	329.18595	182.0
[M+K]+	350.11529	180.4
[M-H]-	310.14485	178.8
[M+Na-2H]-	332.12680	183.4
[M]+	311.15158	177.6
[M]-	311.15268	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe