CID 24208809

23299-28-7

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC(C)NCC(C1=CC=CC=C1OC)O

InChI

InChI=1S/C12H19NO2/c1-9(2)13-8-11(14)10-6-4-5-7-12(10)15-3/h4-7,9,11,13-14H,8H2,1-3H3

InChIKey

RLJUZSQHQRIUSG-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)-2-(propan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 209.14159 Da
Monoisotopic Mass: 1.4
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]+	210.148866	149.3
[M+Na]+	232.130808	154.5
[M-H]-	208.134314	151.4
[M+NH4]+	227.175413	167.3
[M+K]+	248.104748	152.9
[M+H-H2O]+	192.138850	143.1
[M+HCOO]-	254.139791	170.9
[M+CH3COO]-	268.155441	189.6
[M+Na-2H]-	230.116256	152.4
[M]+	209.14104142	149.7
[M]-	209.14213858	149.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.