CID 143187

1-(4-methoxyphenyl)pyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=C(C=C1)N2CCCC2

InChI

InChI=1S/C11H15NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h4-7H,2-3,8-9H2,1H3

InChIKey

VVGHYJTYYXOIGG-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 177.11537 Da
Monoisotopic Mass: 3.5
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	139.6
[M+Na]+	200.10459	152.1
[M+NH4]+	195.14919	149.0
[M+K]+	216.07853	146.6
[M-H]-	176.10809	143.3
[M+Na-2H]-	198.09004	147.3
[M]+	177.11482	142.4
[M]-	177.11592	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe