CID 5236071

2-(2,4-dimethoxyphenyl)pyrrolidine

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

COC1=CC(=C(C=C1)C2CCCN2)OC

InChI

InChI=1S/C12H17NO2/c1-14-9-5-6-10(12(8-9)15-2)11-4-3-7-13-11/h5-6,8,11,13H,3-4,7H2,1-2H3

InChIKey

RMQJFYAFGGOKQJ-UHFFFAOYSA-N

Compound name

2-(2,4-dimethoxyphenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 12
Patents: 207.12593 Da
Monoisotopic Mass: 1.8
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]+	208.13321	147.4
[M+Na]+	230.11515	158.9
[M+NH4]+	225.15975	155.6
[M+K]+	246.08909	154.3
[M-H]-	206.11865	149.9
[M+Na-2H]-	228.10060	153.4
[M]+	207.12538	149.6
[M]-	207.12648	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe