CID 19002711

3-(phenoxymethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CNCC1COC2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12H,6-9H2

InChIKey

SFQSAOHZCPJACU-UHFFFAOYSA-N

Compound name

3-(phenoxymethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 67
Patents: 177.11537 Da
Monoisotopic Mass: 1.9
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]+	178.12265	140.6
[M+Na]+	200.10459	152.1
[M+NH4]+	195.14919	149.6
[M+K]+	216.07853	146.7
[M-H]-	176.10809	143.6
[M+Na-2H]-	198.09004	147.9
[M]+	177.11482	143.0
[M]-	177.11592	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe