CID 128191

102722-02-1

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC(C)(C)NCC(C1=CC=CC=C1O)O

InChI

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

InChIKey

FCEWRLVEPKVKBU-UHFFFAOYSA-N

Compound name

2-[2-(tert-butylamino)-1-hydroxyethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 1
Patents: 209.14159 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]+	210.148866	149.3
[M+Na]+	232.130808	154.8
[M-H]-	208.134314	150.2
[M+NH4]+	227.175413	166.8
[M+K]+	248.104748	152.4
[M+H-H2O]+	192.138850	143.9
[M+HCOO]-	254.139791	168.8
[M+CH3COO]-	268.155441	185.9
[M+Na-2H]-	230.116256	153.9
[M]+	209.14104142	147.8
[M]-	209.14213858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe