CID 3046893

5-(p-ethylbenzyl)-2-oxazolidone

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCC1=CC=C(C=C1)CC2CNC(=O)O2
InChI
InChI=1S/C12H15NO2/c1-2-9-3-5-10(6-4-9)7-11-8-13-12(14)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKey
QAVNOTNQZMRRFK-UHFFFAOYSA-N
Compound name
5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.11028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.4
[M+Na]+ 228.09950 152.6
[M-H]- 204.10300 149.9
[M+NH4]+ 223.14410 162.9
[M+K]+ 244.07344 150.1
[M+H-H2O]+ 188.10754 138.6
[M+HCOO]- 250.10848 165.3
[M+CH3COO]- 264.12413 182.1
[M+Na-2H]- 226.08495 148.9
[M]+ 205.10973 143.9
[M]- 205.11083 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe