CID 108810

30315-49-2

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CC(C)(C)N1CC(OC1C2=CC=CC=C2)CO

InChI

InChI=1S/C14H21NO2/c1-14(2,3)15-9-12(10-16)17-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3

InChIKey

JERBWURCWWHQBK-UHFFFAOYSA-N

Compound name

(3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 65
Patents: 235.15723 Da
Monoisotopic Mass: 1.9
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]+	236.164506	155.8
[M+Na]+	258.146448	162.2
[M-H]-	234.149954	160.3
[M+NH4]+	253.191053	172.4
[M+K]+	274.120388	160.4
[M+H-H2O]+	218.154490	149.4
[M+HCOO]-	280.155431	173.2
[M+CH3COO]-	294.171081	188.7
[M+Na-2H]-	256.131896	159.1
[M]+	235.15668142	155.2
[M]-	235.15777858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe