CID 14497356

788123-19-3

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

COC1=CC=CC=C1O[C@H]2CCNC2

InChI

InChI=1S/C11H15NO2/c1-13-10-4-2-3-5-11(10)14-9-6-7-12-8-9/h2-5,9,12H,6-8H2,1H3/t9-/m0/s1

InChIKey

RLANOFAQNVDAQD-VIFPVBQESA-N

Compound name

(3S)-3-(2-methoxyphenoxy)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 193.11028 Da
Monoisotopic Mass: 1.6
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]+	194.11756	142.0
[M+Na]+	216.09950	148.2
[M-H]-	192.10300	145.6
[M+NH4]+	211.14410	161.0
[M+K]+	232.07344	145.7
[M+H-H2O]+	176.10754	134.8
[M+HCOO]-	238.10848	163.0
[M+CH3COO]-	252.12413	178.8
[M+Na-2H]-	214.08495	146.0
[M]+	193.10973	139.8
[M]-	193.11083	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe