CID 20674

Piperilate

Structural Information

Molecular Formula

C₂₁H₂₅NO₃

SMILES

C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2

InChIKey

RZWPJFMNFATBEG-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1090
Patents: 339.18344 Da
Monoisotopic Mass: 3.5
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]+	340.190716	182.2
[M+Na]+	362.172658	183.5
[M-H]-	338.176164	187.1
[M+NH4]+	357.217263	192.0
[M+K]+	378.146598	179.1
[M+H-H2O]+	322.180700	172.1
[M+HCOO]-	384.181641	196.4
[M+CH3COO]-	398.197291	206.0
[M+Na-2H]-	360.158106	185.3
[M]+	339.18289142	177.5
[M]-	339.18398858	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe