CID 3054371

2-(1-isopropyl-2-pyrrolidinyl)-1-(3-methoxyphenyl)ethanol

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CC(C)N1CCCC1CC(C2=CC(=CC=C2)OC)O

InChI

InChI=1S/C16H25NO2/c1-12(2)17-9-5-7-14(17)11-16(18)13-6-4-8-15(10-13)19-3/h4,6,8,10,12,14,16,18H,5,7,9,11H2,1-3H3

InChIKey

MVYCHYSNPKAXLV-UHFFFAOYSA-N

Compound name

1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrrolidin-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 263.18854 Da
Monoisotopic Mass: 2.8
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]+	264.195816	165.3
[M+Na]+	286.177758	169.6
[M-H]-	262.181264	168.6
[M+NH4]+	281.222363	181.5
[M+K]+	302.151698	166.9
[M+H-H2O]+	246.185800	157.7
[M+HCOO]-	308.186741	182.5
[M+CH3COO]-	322.202391	196.7
[M+Na-2H]-	284.163206	163.4
[M]+	263.18799142	164.0
[M]-	263.18908858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe