CID 725585

103788-65-4

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCO

InChI

InChI=1S/C12H13NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3

InChIKey

JYWHQBLLIBQGCU-UHFFFAOYSA-N

Compound name

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 612
Patents: 203.09464 Da
Monoisotopic Mass: 2.0
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]+	204.10192	143.9
[M+Na]+	226.08386	157.7
[M+NH4]+	221.12846	152.2
[M+K]+	242.05780	153.1
[M-H]-	202.08736	148.2
[M+Na-2H]-	224.06931	151.4
[M]+	203.09409	147.1
[M]-	203.09519	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe