CID 3041217

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(4-methoxyphenyl)ethyl)-

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CC1(COC(=N1)CCC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C14H19NO2/c1-14(2)10-17-13(15-14)9-6-11-4-7-12(16-3)8-5-11/h4-5,7-8H,6,9-10H2,1-3H3

InChIKey

SQAXHPBQPUHXAK-UHFFFAOYSA-N

Compound name

2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.14159 Da
Monoisotopic Mass: 2.3
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]+	234.148866	152.0
[M+Na]+	256.130808	160.5
[M-H]-	232.134314	158.3
[M+NH4]+	251.175413	171.4
[M+K]+	272.104748	159.1
[M+H-H2O]+	216.138850	145.2
[M+HCOO]-	278.139791	174.1
[M+CH3COO]-	292.155441	190.7
[M+Na-2H]-	254.116256	157.2
[M]+	233.14104142	155.6
[M]-	233.14213858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe