CID 14497352

3-phenoxypyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CNCC1OC2=CC=CC=C2

InChI

InChI=1S/C10H13NO/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-11H,6-8H2

InChIKey

SKHPQIQATRHESG-UHFFFAOYSA-N

Compound name

3-phenoxypyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 163.09972 Da
Monoisotopic Mass: 1.7
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]+	164.106996	134.6
[M+Na]+	186.088938	140.3
[M-H]-	162.092444	137.9
[M+NH4]+	181.133543	154.4
[M+K]+	202.062878	137.6
[M+H-H2O]+	146.096980	127.5
[M+HCOO]-	208.097921	155.6
[M+CH3COO]-	222.113571	147.1
[M+Na-2H]-	184.074386	139.7
[M]+	163.09917142	130.2
[M]-	163.10026858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe