CID 3046899

5-(o-allyloxybenzyl)-2-oxazolidone

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

C=CCOC1=CC=CC=C1CC2CNC(=O)O2

InChI

InChI=1S/C13H15NO3/c1-2-7-16-12-6-4-3-5-10(12)8-11-9-14-13(15)17-11/h2-6,11H,1,7-9H2,(H,14,15)

InChIKey

DZOAMDXJSLDMLT-UHFFFAOYSA-N

Compound name

5-[(2-prop-2-enoxyphenyl)methyl]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.1052 Da
Monoisotopic Mass: 2.4
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]+	234.112476	151.8
[M+Na]+	256.094418	158.7
[M-H]-	232.097924	156.1
[M+NH4]+	251.139023	167.9
[M+K]+	272.068358	155.9
[M+H-H2O]+	216.102460	144.7
[M+HCOO]-	278.103401	171.7
[M+CH3COO]-	292.119051	186.5
[M+Na-2H]-	254.079866	154.9
[M]+	233.10465142	151.4
[M]-	233.10574858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe