CID 23844

T-butylnorsynephrine

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

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

InChI

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

InChIKey

JOGFUYPGDLRKHD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 12
Patents: 209.14159 Da
Monoisotopic Mass: 0.4
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]+	210.14887	149.1
[M+Na]+	232.13081	158.9
[M+NH4]+	227.17541	156.2
[M+K]+	248.10475	154.4
[M-H]-	208.13431	149.8
[M+Na-2H]-	230.11626	154.0
[M]+	209.14104	150.5
[M]-	209.14214	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe