CID 42243

57258-61-4

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: 22
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]+	312.159406	173.2
[M+Na]+	334.141348	175.1
[M-H]-	310.144854	177.2
[M+NH4]+	329.185953	183.5
[M+K]+	350.115288	170.3
[M+H-H2O]+	294.149390	164.0
[M+HCOO]-	356.150331	186.7
[M+CH3COO]-	370.165981	197.7
[M+Na-2H]-	332.126796	177.0
[M]+	311.15158142	166.2
[M]-	311.15267858	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe