CID 11571932

4-(hydroxymethyl)-5-methyl-2-phenyl-1,3-oxazole

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

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

InChI

InChI=1S/C11H11NO2/c1-8-10(7-13)12-11(14-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3

InChIKey

AAQIALLSQXGHHT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 189.07898 Da
Monoisotopic Mass: 1.5
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]+	190.086256	138.4
[M+Na]+	212.068198	147.8
[M-H]-	188.071704	143.8
[M+NH4]+	207.112803	156.8
[M+K]+	228.042138	145.8
[M+H-H2O]+	172.076240	131.8
[M+HCOO]-	234.077181	161.4
[M+CH3COO]-	248.092831	179.2
[M+Na-2H]-	210.053646	144.5
[M]+	189.07843142	140.1
[M]-	189.07952858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe