CID 26194

13696-09-8

Structural Information

Molecular Formula

C₁₉H₂₁NO₃

SMILES

CN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C19H21NO3/c1-20-13-12-17(14-20)23-18(21)19(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3

InChIKey

YIYNRMJWZJVPOO-UHFFFAOYSA-N

Compound name

(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 311.15213 Da
Monoisotopic Mass: 2.9
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	173.8
[M+Na]+	334.14135	178.0
[M-H]-	310.14485	180.3
[M+NH4]+	329.18595	187.3
[M+K]+	350.11529	174.1
[M+H-H2O]+	294.14939	165.3
[M+HCOO]-	356.15033	191.1
[M+CH3COO]-	370.16598	200.6
[M+Na-2H]-	332.12680	175.6
[M]+	311.15158	171.3
[M]-	311.15268	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe