CID 68819

Fepradinol

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

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

InChI

InChI=1S/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3

InChIKey

PVOOBRUZWPQOER-UHFFFAOYSA-N

Compound name

2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 2959
Patents: 209.14159 Da
Monoisotopic Mass: 0.6
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]+	210.14887	149.4
[M+Na]+	232.13081	153.8
[M-H]-	208.13431	149.8
[M+NH4]+	227.17541	166.4
[M+K]+	248.10475	151.3
[M+H-H2O]+	192.13885	143.7
[M+HCOO]-	254.13979	168.8
[M+CH3COO]-	268.15544	185.3
[M+Na-2H]-	230.11626	154.7
[M]+	209.14104	147.6
[M]-	209.14214	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe