CID 3041214

P-1891

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CCC1COC(=N1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C13H17NO2/c1-3-11-9-16-13(14-11)8-10-4-6-12(15-2)7-5-10/h4-7,11H,3,8-9H2,1-2H3

InChIKey

VEAXDBKPLRSNBZ-UHFFFAOYSA-N

Compound name

4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 219.12593 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]+	220.13321	149.4
[M+Na]+	242.11515	162.6
[M+NH4]+	237.15975	157.8
[M+K]+	258.08909	157.6
[M-H]-	218.11865	154.0
[M+Na-2H]-	240.10060	156.2
[M]+	219.12538	152.6
[M]-	219.12648	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe