CID 3054349

Dtxsid60991465

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CN1CCCC1CC(C2=CC(=CC=C2)OC)O

InChI

InChI=1S/C14H21NO2/c1-15-8-4-6-12(15)10-14(16)11-5-3-7-13(9-11)17-2/h3,5,7,9,12,14,16H,4,6,8,10H2,1-2H3

InChIKey

BMIOEZNRPWLYCQ-UHFFFAOYSA-N

Compound name

1-(3-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 235.15723 Da
Monoisotopic Mass: 2.0
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]+	236.164506	156.0
[M+Na]+	258.146448	161.4
[M-H]-	234.149954	159.5
[M+NH4]+	253.191053	173.5
[M+K]+	274.120388	158.7
[M+H-H2O]+	218.154490	148.7
[M+HCOO]-	280.155431	174.9
[M+CH3COO]-	294.171081	189.8
[M+Na-2H]-	256.131896	156.4
[M]+	235.15668142	154.6
[M]-	235.15777858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe