CID 217425

Brn 1468678

Structural Information

Molecular Formula

C₁₅H₂₃NO₂

SMILES

CCC(C1(CCN(C1)C)C2=CC(=CC=C2)OC)O

InChI

InChI=1S/C15H23NO2/c1-4-14(17)15(8-9-16(2)11-15)12-6-5-7-13(10-12)18-3/h5-7,10,14,17H,4,8-9,11H2,1-3H3

InChIKey

PDBTYZXNMLGGRO-UHFFFAOYSA-N

Compound name

1-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.17288 Da
Monoisotopic Mass: 2.4
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]+	250.180156	159.6
[M+Na]+	272.162098	165.7
[M-H]-	248.165604	163.4
[M+NH4]+	267.206703	178.6
[M+K]+	288.136038	162.9
[M+H-H2O]+	232.170140	152.9
[M+HCOO]-	294.171081	178.2
[M+CH3COO]-	308.186731	192.3
[M+Na-2H]-	270.147546	160.8
[M]+	249.17233142	158.9
[M]-	249.17342858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.