CID 57368089

18910-68-4

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CC1=C(C=CC(=C1)C(CNC(C)(C)C)O)O

InChI

InChI=1S/C13H21NO2/c1-9-7-10(5-6-11(9)15)12(16)8-14-13(2,3)4/h5-7,12,14-16H,8H2,1-4H3

InChIKey

GELQRPHSNNCPNQ-UHFFFAOYSA-N

Compound name

4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 223.15723 Da
Monoisotopic Mass: 1.6
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]+	224.164506	153.5
[M+Na]+	246.146448	159.5
[M-H]-	222.149954	154.6
[M+NH4]+	241.191053	170.7
[M+K]+	262.120388	156.9
[M+H-H2O]+	206.154490	148.2
[M+HCOO]-	268.155431	172.6
[M+CH3COO]-	282.171081	190.1
[M+Na-2H]-	244.131896	156.9
[M]+	223.15668142	152.8
[M]-	223.15777858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe